SCHEMBL4829935

SCHEMBL4829935

O=c1[nH]cc(C=Cc2cccnc2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.60
IDO1 P14902 1/20 0.55
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1H2 P55055 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
DPYD Q12882 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL4832042 1.00 TDO2 (0.60) TDO2IDO1CYP11B1CYP11B2NPC1
SCHEMBL14956670 0.82 TDO2 (0.69) TDO2IDO1CYP11B1CYP11B2NPC1
SCHEMBL13036630 0.82 TDO2 (0.69) TDO2IDO1CYP11B1CYP11B2NPC1
SCHEMBL4834327 0.81 PADI4 (0.44) TDO2NPC1RAB9AMEN1KMT2A
SCHEMBL4832335 0.81 PADI4 (0.44) TDO2NPC1RAB9AMEN1KMT2A
SCHEMBL7502145 0.74 CYP11B1 (0.51) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL7502157 0.74 CYP11B1 (0.51) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29691623 0.72 CYP11B1 (0.86) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL29691639 0.72 CYP11B1 (0.86) CYP11B1CYP11B2NPC1RAB9AMEN1
SCHEMBL2783746 0.72 CYP1A1 (0.59) TDO2IDO1CYP11B1CYP11B2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 US disclosed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 EP disclosed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 US disclosed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 US disclosed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 US disclosed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 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-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase FLT1, FLT4, KDR TDO2 706/4885IDO1 249/4885CYP11B1 131/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR TDO2 747/4885IDO1 481/4885CYP11B1 293/4885

“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.