SCHEMBL4828118

SCHEMBL4828118

COc1ccc(Cc2c(C)nc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.52
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ABCG2 Q9UNQ0 8/20 0.46
▸ EGFR P00533 3/20 0.43
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ APBA1 Q02410 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CTSC P53634 1/20 0.40
▸ IDH2 P48735 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40

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
SCHEMBL4824922 0.87 KDR (0.47) KDRMAPTABCG2EGFRTSHR
SCHEMBL4828200 0.87 KDR (0.47) KDRMAPTABCG2EGFRTSHR
SCHEMBL4824542 0.77 NPC1 (0.48) KDRMAPTNPC1ABCG2EGFR
SCHEMBL1383487 0.75 KDR (0.48) KDRMAPTNPC1ABCG2EGFR
SCHEMBL17364449 0.73 MAPT (0.71) KDRMAPTNPC1ABCG2EGFR
SCHEMBL4824964 0.72 PDE10A (0.41) KDRLMNAMAPK1NPSR1
SCHEMBL1386583 0.70 KDR (0.46) KDRMAPTNPC1ABCG2
SCHEMBL1383615 0.69 KDR (0.48) KDRMAPTNPC1ABCG2EGFR
SCHEMBL1383441 0.68 EGFR (0.49) KDRMAPTABCG2EGFRTSHR
SCHEMBL18164417 0.66 L3MBTL1 (0.50) MAPTNPC1HTTLMNAMAPK1

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 KDR 3/4885MAPT 2394/4885NPC1 3966/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR KDR 3/4885MAPT 1907/4885NPC1 4337/4885

“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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