SCHEMBL134930

SCHEMBL134930

O=C1Cc2[c]ccnc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.33
GSK3B P49841 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL17331549 0.69 CHEK1 (0.33) CDK5GSK3BCHEK1AURKADAPK3
SCHEMBL16426943 0.69
SCHEMBL15386159 0.67 CDK5 (0.37) CDK5GSK3BCHEK1AURKADAPK3
SCHEMBL331737 0.65
SCHEMBL9393901 0.64
SCHEMBL791635 0.63 AHR (0.48) CDK5GSK3BGSK3ACDK9CCNB2
SCHEMBL578594 0.63 GSK3B (0.53) CDK5GSK3BCHEK1AURKADAPK3
SCHEMBL16339613 0.63
SCHEMBL2072448 0.63 UHRF1 (0.34)
SCHEMBL29499281 0.63 GSK3B (0.53) CDK5GSK3BCHEK1AURKADAPK3

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 257 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
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP claimed
US-9695180-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2017-07-04 US claimed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US claimed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US claimed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 EP 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-10556908-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors KDM1A, KDM1B, KDM2A CDK5 528/4885GSK3B 2601/4885CHEK1 3466/4885
US-20100292242-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF NLN, HTR3B, HTR2C CDK5 758/4885GSK3B 2428/4885CHEK1 2601/4885
US-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, HTR2B, ADRA1B CDK5 1287/4885GSK3B 334/4885CHEK1 3491/4885
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 CDK5 724/4885GSK3B 626/4885CHEK1 3749/4885
US-10112950-B2 Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors KDM1A, KDM1B, KDM2A CDK5 528/4885GSK3B 2601/4885CHEK1 3466/4885
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders OPRL1, HTR1B, HTR3C CDK5 2271/4885GSK3B 1265/4885CHEK1 4359/4885
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 CDK5 1734/4885GSK3B 1378/4885CHEK1 3526/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 CDK5 3192/4885GSK3B 1982/4885CHEK1 4575/4885
US-20190106426-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM1B, KDM2A, KDM1A CDK5 282/4885GSK3B 2787/4885CHEK1 2057/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN CDK5 820/4885GSK3B 209/4885CHEK1 439/4885
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B CDK5 1896/4885GSK3B 626/4885CHEK1 3813/4885
US-20170369497-A1 IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM1B, KDM1A, KDM5A CDK5 529/4885GSK3B 2729/4885CHEK1 3102/4885

“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.