SCHEMBL4824542

SCHEMBL4824542

COc1ccc(Cc2cnc(Nc3cccc(C(F)(F)F)c3)c3cccnc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KDR P35968 2/20 0.47
▸ ABCG2 Q9UNQ0 5/20 0.45
▸ EGFR P00533 3/20 0.45
▸ GRM4 Q14833 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL6223109 0.86 GRM4 (0.47) MAPTKDRABCG2EGFRGRM4
SCHEMBL4824553 0.86 KDM4E (0.48) MAPTKDRABCG2EGFRGRM4
SCHEMBL1385832 0.83 KDR (0.39) KDRABCG2GRM4MEN1CYP3A4
SCHEMBL4832143 0.80 MEN1 (0.36) EGFRMEN1CYP3A4KMT2A
SCHEMBL1383487 0.78 KDR (0.48) NPC1MAPTKDRABCG2EGFR
SCHEMBL4828118 0.77 KDR (0.52) NPC1MAPTKDRABCG2EGFR
SCHEMBL1386583 0.76 KDR (0.46) NPC1MAPTKDRABCG2CYP3A4
SCHEMBL1383615 0.74 KDR (0.48) NPC1MAPTKDRABCG2EGFR
SCHEMBL6262236 0.73 KCNH2 (0.33) KDRMEN1KMT2AFYN
SCHEMBL4832584 0.72 CYP2C9 (0.40) NPC1KDM4EHTTMAPK1CYP2C9

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
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
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 — — EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 — — WO 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 NPC1 3966/4885MAPT 2394/4885KDR 3/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR NPC1 4337/4885MAPT 1907/4885KDR 3/4885

“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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