SCHEMBL134931

SCHEMBL134931

O=C1Cc2cccnc2[N]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
PAX8 Q06710 1/20 0.34
RIN1 Q13671 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
PTPRC P08575 2/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
PTPN13 Q12923 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL626927 0.82 MIF (0.35) TDP2NSD2ABL1PLCG1CES1
SCHEMBL6713670 0.73 TRPA1 (0.41) CYP1A2BLMMAOACYP19A1TNF
SCHEMBL670212 0.72 TDP2 (0.32) CYP1A2TDP2NSD2ABL1PLCG1
SCHEMBL340262 0.71 MAOB (0.38) TDP2NSD2ABL1PLCG1CES1
SCHEMBL3515455 0.71 MAOB (0.38) CYP1A2TDP2NSD2ABL1PLCG1
SCHEMBL4964849 0.68 TRPA1 (0.32) CYP1A2TDP2NSD2ABL1PLCG1
SCHEMBL124176 0.67 CYP1A2 (0.44) CYP1A2CES1GAAMAOACYP19A1
SCHEMBL1105630 0.67 NOS3 (0.34) NPC1HSP90AA1L3MBTL1
SCHEMBL4183808 0.67 LMNA (0.30)
SCHEMBL9203267 0.65 CHRM2 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 217 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556908-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2020-02-11 US claimed
US-20190106426-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2019-04-11 US claimed
US-10112950-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2018-10-30 US claimed
EP-1904069-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2018-06-13 EP claimed
US-20170369497-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2017-12-28 US claimed
US-9695180-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2017-07-04 US claimed
US-20160009720-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2016-01-14 US claimed
WO-2016007736-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2016-01-14 WO claimed
US-9045468-B2 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US claimed
US-9034899-B2 Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-05-19 US claimed
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 US claimed
US-7956050-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2011-06-07 US claimed
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 US claimed
US-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-19 US claimed
US-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 US claimed
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-05-07 US claimed
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders AMR TECHNOLOGY, INC. (US) 2008-08-28 US claimed
EP-1904069-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2008-04-02 EP claimed
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse AMR TECHNOLOGY, INC. (US) 2007-01-25 US claimed
WO-2007011820-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2007-01-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160009720-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM1B, KDM2A, KDM1A CYP1A2 193/4885TDP2 620/4885NSD2 76/4885
US-10556908-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors KDM1A, KDM1B, KDM2A CYP1A2 213/4885TDP2 1058/4885NSD2 87/4885
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C CYP1A2 22/4885TDP2 335/4885NSD2 1772/4885
US-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, HTR2B, ADRA1B CYP1A2 109/4885TDP2 3086/4885NSD2 1436/4885
US-20120046271-A1 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin HTR2B, HTR1B, HTR5A CYP1A2 81/4885TDP2 2610/4885NSD2 1242/4885
US-10112950-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors KDM1A, KDM1B, KDM2A CYP1A2 213/4885TDP2 1058/4885NSD2 87/4885
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders OPRL1, HTR1B, HTR3C CYP1A2 45/4885TDP2 2286/4885NSD2 154/4885
US-20100137287-A1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA1B, ADRB1, ADRA1D CYP1A2 156/4885TDP2 2049/4885NSD2 1429/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 CYP1A2 60/4885TDP2 3889/4885NSD2 188/4885
US-20190106426-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM1B, KDM2A, KDM1A CYP1A2 193/4885TDP2 620/4885NSD2 76/4885
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B CYP1A2 55/4885TDP2 2913/4885NSD2 1120/4885
US-20170369497-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM5A CYP1A2 206/4885TDP2 689/4885NSD2 82/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.