SCHEMBL1385569

SCHEMBL1385569

COc1ccc(Cc2cnc(Nc3ccc(C(C)(C)C)c(Br)c3)c3ccccc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ EGFR P00533 5/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ KDR P35968 3/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL1382757 0.87 PIK3CG (0.41) PIK3CDPIK3CAPIK3CBPIK3CGEGFR
SCHEMBL1386153 0.87 KDR (0.31) EGFRKDRCYP1A2GAASMN1; SMN2
SCHEMBL1386583 0.85 KDR (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL1385506 0.84 KDR (0.44) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL6262236 0.77 KCNH2 (0.33) KCNH2MEN1KMT2AUSP2NAMPT
SCHEMBL4832143 0.76 MEN1 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGEGFR
SCHEMBL1383487 0.76 KDR (0.48) PIK3CDPIK3CAPIK3CBPIK3CGEGFR
SCHEMBL1387130 0.73 GAA (0.36) EGFRKDRMAPTCYP1A2GAA
SCHEMBL1385832 0.73 KDR (0.39) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL1386447 0.73 AURKA (0.37) EGFRKDRMAPTCYP1A2GAA

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 PIK3CD 357/4885PIK3CA 99/4885PIK3CB 317/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR PIK3CD 305/4885PIK3CA 101/4885PIK3CB 267/4885

“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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