SCHEMBL4240540

SCHEMBL4240540

Nc1ncccc1-n1cccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
TDO2 P48775 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
G6PD P11413 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 5/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA1A P35348 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
SCHEMBL31178159 0.79 TDO2 (0.46) MAPK1NPC1TDO2KDM4EALDH1A1
SCHEMBL28300532 0.78 MAPK1 (0.50) MAPK1NPC1TDO2KDM4EALDH1A1
SCHEMBL2172244 0.77 MAPK1 (0.49) MAPK1NPC1TDO2KDM4EALDH1A1
SCHEMBL29543738 0.77 MAPK1 (0.49) MAPK1NPC1TDO2KDM4EALDH1A1
SCHEMBL2592400 0.77 MAPK1 (0.49) MAPK1NPC1TDO2KDM4EALDH1A1
SCHEMBL4341886 0.77 MAPK1 (0.67) MAPK1NPC1TDO2KDM4EALDH1A1
SCHEMBL21486436 0.77 MAPK1 (0.45) MAPK1NPC1TDO2KDM4EALDH1A1
SCHEMBL1531523 0.76 MAPK1 (0.56) MAPK1NPC1TDO2KDM4EALDH1A1
SCHEMBL18284817 0.76 NOTUM (0.43) NOS3NOS1NOS2NOTUMNAPRT
SCHEMBL4235901 0.76 NPC1 (0.47) MAPK1NPC1TDO2KDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1140449-A N-pyrazolyl anilines and N-pyrazolyl aminopyridines as pesticides BAYER AG (DE) 1997-01-15 CN claimed
CN-102834390-B Diazinylpyrazolyl compounds BAYER CROPSCIENCE AG 2014-11-12 CN disclosed
CN-104066730-A Heterocyclic compounds and their use as type III receptor tyrosine kinase modulators AMBIT BIOSCIENCES CORP 2014-09-24 CN disclosed
US-8507530-B2 Pyridine derivatives substituted by heterocyclic ring and phosphonoamino group, and anti-fungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-13 US disclosed
CN-101611030-A Pyrimidinylpyrazole as insecticide and parasiticide active agents BAYER CROPSCIENCE AG (DE) 2009-12-23 CN disclosed
US-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-26 US disclosed
CN-1140449-A N-pyrazolyl anilines and N-pyrazolyl aminopyridines as pesticides BAYER AG (DE) 1997-01-15 CN disclosed
CN-1140449-A N-pyrazolyl anilines and N-pyrazolyl aminopyridines as pesticides BAYER AG (DE) 1997-01-15 CN disclosed
CN-1140449-A N-pyrazolyl anilines and N-pyrazolyl aminopyridines as pesticides BAYER AG (DE) 1997-01-15 CN disclosed
EP-0745067-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AG (DE) 1996-12-04 EP disclosed
WO-1995022530-A1 N-PYRAZOLYL ANILINES AND N-PYRAZOLYL AMINOPYRIDINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-08-24 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 (1 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-20090082403-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME ERG28, H1-2, H1-3 MAPK1 19/4885NPC1 1237/4885TDO2 577/4885

“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.