SCHEMBL3202404

SCHEMBL3202404

COc1ccnc(OC)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.45
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DYRK1A Q13627 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL29513590 1.00 IKBKB (0.45) IKBKBNOS3NOS1NOS2AURKA
SCHEMBL2946870 0.80 AURKA (0.46) IKBKBNOS3NOS1NOS2AURKA
SCHEMBL2954177 0.80 NOS3 (0.52) IKBKBNOS3NOS1NOS2ALDH1A1
SCHEMBL29424822 0.80 AURKA (0.46) IKBKBNOS3NOS1NOS2AURKA
SCHEMBL29745025 0.80 NOS3 (0.52) IKBKBNOS3NOS1NOS2ALDH1A1
SCHEMBL24344995 0.80 LRRK2 (0.35) IKBKBNOS3NOS1NOS2AURKA
SCHEMBL30991292 0.80 IKBKB (0.37) IKBKBNOS3NOS1NOS2AURKA
Hydrochloric Acid SCHEMBL10850408 0.78 AURKA (0.44) IKBKBNOS3NOS1NOS2AURKA
SCHEMBL14353296 0.78 IKBKB (0.41) IKBKBNOS3NOS1NOS2ALDH1A1
SCHEMBL56189 0.78 NOS2 (0.56) IKBKBNOS3NOS1NOS2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496139-A The synthetic method of 4,6 dimethoxypyridin of medical raw material, 5 amine 无锡乾浩生物医药有限公司 2017-03-15 CN claimed
US-20250122182-A1 MYST Inhibitors Isosterix, Inc. 2025-04-17 US disclosed
US-12071413-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2024-08-27 US disclosed
EP-4364798-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY Annapurna Bio Inc. (US) 2024-05-08 EP disclosed
US-11944622-B2 Compounds and compositions for treating conditions associated with APJ receptor activity ANNAPURNA BIO, INC. (US) 2024-04-02 US disclosed
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2024-02-08 US disclosed
EP-3908579-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-27 EP disclosed
EP-3860998-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO INC (US) 2023-12-27 EP disclosed
EP-4225741-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
CN-116438182-A 7-azaindole compounds for inhibiting BCR-ABL tyrosine kinase 活力疗法公司 2023-07-14 CN disclosed
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 US disclosed
CN-108137545-A TRIAZOLE AGONISTS OF THE APJ RECEPTOR 美国安进公司 2018-06-08 CN disclosed
CN-106496139-A The synthetic method of 4,6 dimethoxypyridin of medical raw material, 5 amine 无锡乾浩生物医药有限公司 2017-03-15 CN disclosed
CN-105949174-A Carbazole sulfonamide derivatives or pharmaceutical salts thereof as well as preparation method and application of carbazole sulfonamide derivatives or pharmaceutical salts thereof 中国医学科学院医药生物技术研究所 2016-09-21 CN disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
CN-1649848-A Fused pyrimidines derivatives as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LTD (GB) 2005-08-03 CN disclosed
CN-1153173-A 1-azinyl-tetrazolinones compounds BAYER AGROCHEM KK (JP) 1997-07-02 CN 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 (6 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-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR IKBKB 280/4885NOS3 1970/4885NOS1 2713/4885
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA IKBKB 663/4885NOS3 1061/4885NOS1 1625/4885
US-12071413-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 IKBKB 2093/4885NOS3 556/4885NOS1 715/4885
US-20250122182-A1 MYST Inhibitors MNAT1, SUGT1, ACAT2 IKBKB 301/4885NOS3 3740/4885NOS1 3501/4885
US-11944622-B2 Compounds and compositions for treating conditions associated with APJ receptor activity APLNR, AGTR1, AGTR2 IKBKB 856/4885NOS3 985/4885NOS1 1270/4885
US-20180282289-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 IKBKB 2289/4885NOS3 712/4885NOS1 882/4885

“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.