SCHEMBL904437

SCHEMBL904437

Fc1ccc(Nc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.59
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GFER P55789 1/20 0.55
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
KCNH3 Q9ULD8 1/20 0.47

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
SCHEMBL29962135 1.00 MAPK10 (0.59) MAPK10MEN1KMT2AGFERRAB9A
SCHEMBL31390266 0.83 MEN1 (0.59) MAPK10MEN1KMT2AGFERALDH1A1
SCHEMBL626575 0.83 MEN1 (0.64) MAPK10MEN1KMT2AGFERRAB9A
SCHEMBL29582475 0.83 MEN1 (0.64) MAPK10MEN1KMT2AGFERRAB9A
SCHEMBL2318964 0.82 MEN1 (0.53) MAPK10MEN1KMT2AGFERRAB9A
SCHEMBL31138002 0.81 MEN1 (0.61) MAPK10MEN1KMT2AGFERRAB9A
SCHEMBL3888498 0.80 MEN1 (0.55) MAPK10MEN1KMT2AGFERMAPT
SCHEMBL904463 0.80 MEN1 (0.55) MAPK10MEN1KMT2AGFERRAB9A
SCHEMBL21258999 0.80 NPC1 (0.60) MAPK10MEN1KMT2AGFERRAB9A
SCHEMBL904444 0.80 NPC1 (0.60) MAPK10MEN1KMT2AGFERRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292230-B Palladium catalyzed N-H carbonylation of N-phenylpyridine-2-amine with DMF as methyl source 桂林理工大学 2023-11-17 CN disclosed
CN-114292230-A Palladium-catalyzed N-phenylpyridine-2-amine N-H carbonylation reaction taking DMF as methyl source 桂林理工大学 2022-04-08 CN disclosed
US-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2021-03-25 US disclosed
EP-3750879-A1 PROSTACYCLIN RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-12-16 EP disclosed
CN-107973779-B Preparation method of N- (2-pyridine/pyrimidine-based) indole derivative 华侨大学 2020-05-05 CN disclosed
EP-2970260-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS Proximagen Limited (GB) 2016-01-20 EP disclosed
WO-2014140592-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LIMITED (GB) 2014-09-18 WO disclosed
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 US disclosed
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 US disclosed
US-8778955-B2 Indole derivatives or benzimidazole derivatives for modulating IkB kinase SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-07-15 US disclosed
US-20050197353-A1 Indole derivatives or benzimidazole derivatives for modulating IkB kinase AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-08 US disclosed
EP-1530568-A1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING I&kB KINASE Aventis Pharma Deutschland GmbH (DE) 2005-05-18 EP disclosed
WO-2004022553-A1 INDOLE OR BENZIMIDAZOLE DERIVATIVES FOR MODULATING IκB KINASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-18 WO disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
US-6031106-A Process and intermediate products for preparing pyridyl-4-fluoroanilines BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-6031106-A Process and intermediate products for preparing pyridyl-4-fluoroanilines BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-6031106-A Process and intermediate products for preparing pyridyl-4-fluoroanilines BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed
EP-0888305-A1 PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING PYRIDYL-4-FLUOROANILINES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997034872-A1 PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING PYRIDYL-4-FLUOROANILINES BASF AKTIENGESELLSCHAFT (DE) 1997-09-25 WO 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 (2 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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR MAPK10 1439/4885MEN1 2717/4885KMT2A 3901/4885
US-20050197353-A1 Indole derivatives or benzimidazole derivatives for modulating IkB kinase IKBKB, IKBKG, IKBKE MAPK10 1055/4885MEN1 4096/4885KMT2A 1433/4885

“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.