SCHEMBL1386447

SCHEMBL1386447

CCc1ccc(Nc2ncc(Cc3ccc(O)nc3)c3ccccc23)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ EGFR P00533 6/20 0.34
▸ GAA P10253 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ KDR P35968 6/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ MET P08581 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MAPT P10636 2/20 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
SCHEMBL1387130 0.89 GAA (0.36) CYP1A2EGFRGAASMN1; SMN2KDM4E
SCHEMBL4832827 0.88 AURKA (0.34) AURKACYP1A2EGFRGAASMN1; SMN2
SCHEMBL1386153 0.86 KDR (0.31) CYP1A2EGFRGAASMN1; SMN2KDM4E
SCHEMBL13955593 0.84 FLT1 (0.43) EGFRSMN1; SMN2KDM4EKDRMAPT
SCHEMBL6262236 0.82 KCNH2 (0.33) GAASMN1; SMN2KDR
SCHEMBL1386144 0.80 NR3C2 (0.34) AURKACYP1A2EGFRGAASMN1; SMN2
SCHEMBL1386333 0.80 MAPT (0.36) CYP1A2EGFRGAASMN1; SMN2KDR
SCHEMBL1385057 0.79 KDR (0.46) AURKAEGFRGAASMN1; SMN2KDR
SCHEMBL1383613 0.78 KDR (0.40) AURKAEGFRKDRABCG2JAK3
SCHEMBL1386555 0.76 MEN1 (0.39) CYP1A2EGFRKDRABCG2MAPT

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 13 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
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

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 AURKA 736/4885CYP1A2 269/4885EGFR 15/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR AURKA 642/4885CYP1A2 374/4885EGFR 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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