SCHEMBL1384909

SCHEMBL1384909

Oc1ccc(Cc2cnc(Nc3cc(F)cc(C(F)(F)F)c3)c3ccccc23)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.50
▸ FLT1 P17948 2/20 0.50
▸ GRM4 Q14833 1/20 0.40
▸ EGFR P00533 4/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ EPAS1 Q99814 1/20 0.35
▸ VNN1 O95497 2/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.33

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
SCHEMBL1383487 0.85 KDR (0.48) KDRFLT1GRM4EGFRABCG2
SCHEMBL1383613 0.82 KDR (0.40) KDRFLT1EGFRABCG2TSHR
SCHEMBL1385057 0.78 KDR (0.46) KDRFLT1EGFRABCG2
SCHEMBL4824553 0.77 KDM4E (0.48) KDRGRM4EGFRABCG2TSHR
SCHEMBL1387130 0.73 GAA (0.36) KDREGFRABCG2
SCHEMBL1386153 0.73 KDR (0.31) KDRFLT1EGFRABCG2
SCHEMBL1386447 0.73 AURKA (0.37) KDREGFRABCG2
SCHEMBL4824922 0.73 KDR (0.47) KDREGFRABCG2TSHRHTT
SCHEMBL13955485 0.71 FLT1 (0.52) KDRFLT1EGFRABCG2
SCHEMBL1385761 0.70 KDR (0.39) KDRFLT1EGFRHDAC3HDAC1

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
JP-4837864-B2 — — 2011-12-14 — — JP 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 1/4885GRM4 3442/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR KDR 3/4885FLT1 1/4885GRM4 3225/4885

“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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