SCHEMBL1383635

SCHEMBL1383635

CCCc1ccc(Nc2ncc(CCc3ccc(C)nc3)c3ccccc23)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.38
▸ PDGFRB P09619 2/20 0.36
▸ FLT1 P17948 2/20 0.36
▸ KIT P10721 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ NR3C2 P08235 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ AURKA O14965 1/20 0.32

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
SCHEMBL1383229 0.83 GAA (0.40) KDRFLT1GAAMAPTGRM5
SCHEMBL1383441 0.83 EGFR (0.49) KDRMAPTABCG2
SCHEMBL1386333 0.81 MAPT (0.36) KDRGAAMAPTGRM5NAMPT
SCHEMBL7105495 0.79 NPC1 (0.36) GAAMAPTNAMPTAURKA
SCHEMBL1383679 0.79 RAPGEF4 (0.38) KDRFLT1GAAABCG2NAMPT
SCHEMBL1383504 0.78 KDR (0.44) KDRPDGFRBFLT1KITNAMPT
SCHEMBL1383890 0.77 GAA (0.37) KDRGAAMAPTGRM5SLC6A2
SCHEMBL1387032 0.77 KDR (0.54) KDRPDGFRBFLT1KITNAMPT
SCHEMBL13955414 0.70 PLK1 (0.46) KDRFLT1ABCG2NAMPT
SCHEMBL1383613 0.70 KDR (0.40) KDRPDGFRBFLT1KITNR1H2

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 3/4885PDGFRB 10/4885FLT1 1/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR KDR 3/4885PDGFRB 7/4885FLT1 1/4885

“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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