SCHEMBL4832266

SCHEMBL4832266

COc1ccc(Cc2c(C)[nH]c(=O)c3ccccc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.46
DAO P14920 1/20 0.39
KCNH2 Q12809 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37

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
SCHEMBL31735739 0.79 KMT2A (0.63) PDE10A
SCHEMBL4824674 0.76 CYP2C9 (0.48) DAOKCNH2
SCHEMBL30106677 0.74 NPC1 (0.41) PDE10AKCNH2
SCHEMBL4824964 0.73 PDE10A (0.41) PDE10AKCNH2
SCHEMBL1601388 0.70 LTA4H (0.55)
SCHEMBL9108045 0.68 DAO (0.45) DAO
SCHEMBL30106659 0.68 TBXAS1 (0.59) KCNH2
SCHEMBL4832408 0.68 DAO (0.44) DAOKCNH2
SCHEMBL1757634 0.67 KMT2A (0.45)
SCHEMBL27886282 0.66 TAS2R14 (0.43)

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 PDE10A 772/4885DAO 2350/4885KCNH2 2601/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR PDE10A 687/4885DAO 2108/4885KCNH2 2850/4885

“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.