SCHEMBL1383487

SCHEMBL1383487

COc1ccc(Cc2cnc(Nc3cc(F)cc(C(F)(F)F)c3)c3ccccc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ EGFR P00533 5/20 0.46
▸ CETP P11597 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ GRM4 Q14833 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL1384909 0.85 KDR (0.50) KDRFLT1EGFRGRM4PIK3CA
SCHEMBL1386583 0.83 KDR (0.46) KDRFLT1NPC1MAPTCYP3A4
SCHEMBL1385506 0.80 KDR (0.44) KDRFLT1PIK3CDPIK3CAPIK3CB
SCHEMBL4824542 0.78 NPC1 (0.48) KDREGFRNPC1MAPTGRM4
SCHEMBL1382757 0.76 PIK3CG (0.41) KDREGFRMAPTCYP3A4PIK3CD
SCHEMBL1385569 0.76 PIK3CD (0.38) KDREGFRMAPTCYP3A4PIK3CD
SCHEMBL4828118 0.75 KDR (0.52) KDREGFRNPC1MAPTABCG2
SCHEMBL1383596 0.72 KDR (0.38) KDRFLT1EGFRMAPTABCG2
SCHEMBL1383615 0.70 KDR (0.48) KDRFLT1EGFRNPC1MAPT
SCHEMBL1385832 0.69 KDR (0.39) KDRFLT1GRM4CYP3A4PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4837864-B2 — — 2011-12-14 — — JP claimed
US-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 — — US claimed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 — — EP claimed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 — — US claimed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 — — US claimed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 — — US claimed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 — — EP claimed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 — — WO claimed

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 KDR 3/4885FLT1 1/4885EGFR 15/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR KDR 3/4885FLT1 1/4885EGFR 12/4885

“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.

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