SCHEMBL178395

SCHEMBL178395

CNCc1ccc(OC)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CD274 Q9NZQ7 1/20 0.48
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 1/20 0.46
NAMPT P43490 1/20 0.44
MLLT1 Q03111 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 2/20 0.41
NNMT P40261 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL30471820 1.00 KDM1A (0.51) KDM1AMAOAMAOBCD274CYP2C9
SCHEMBL29196394 0.83 KDM1A (0.50) KDM1AMAOAMAOBCYP2C9CYP2C19
SCHEMBL21278459 0.83 CD274 (0.50) KDM1AMAOAMAOBCD274MEN1
SCHEMBL13401263 0.83 KDM1A (0.50) KDM1AMAOAMAOBCYP2C9CYP2C19
SCHEMBL20775012 0.83 KDM1A (0.50) KDM1AMAOAMAOBCYP2C9CYP2C19
SCHEMBL14867655 0.81 KDM1A (0.49) KDM1AMAOAMAOBCYP2C9CYP2C19
SCHEMBL9608837 0.81 ATM (0.50) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL6047215 0.81 KDM1A (0.49) KDM1AMAOAMAOBCYP2C9CYP2C19
SCHEMBL21472218 0.80 CD274 (0.45) KDM1AMAOAMAOBCD274CYP2C9
SCHEMBL104956 0.80 CD274 (0.51) KDM1AMAOAMAOBCD274CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964547-A Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor 瀚远医药有限公司 2024-05-03 CN disclosed
CN-117820202-A Carbamic acid compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor 瀚远医药有限公司 2024-04-05 CN disclosed
WO-2024067304-A1 COMPOUND WITH INHIBITORY ACTIVITY AGAINST SIGMA2 AND 5HT2A AND USE 瀚远医药有限公司 2024-04-04 WO disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
EP-1479397-B1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-06-08 EP disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-16 US disclosed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
EP-1544200-A1 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-22 EP disclosed

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

For each of this compound's patents that has machine-readable text (5 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 KDM1A 3304/4885MAOA 1717/4885MAOB 2855/4885
US-11685727-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 KDM1A 4089/4885MAOA 3525/4885MAOB 3188/4885
US-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives ADORA2A, ADORA1, ADORA3 KDM1A 1886/4885MAOA 132/4885MAOB 96/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 KDM1A 4089/4885MAOA 3525/4885MAOB 3188/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 KDM1A 80/4885MAOA 2945/4885MAOB 3545/4885

“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.