SCHEMBL4724653

SCHEMBL4724653

CNc1cc(Nc2ccc(C(=O)O)cc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
EGFR P00533 6/20 0.50
ERBB3 P21860 6/20 0.50
AURKA O14965 2/20 0.50
HCAR3 P49019 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TNNI3K Q59H18 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
AURKB Q96GD4 1/20 0.47
KMO O15229 1/20 0.47
TOP2A P11388 1/20 0.45
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.44

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
SCHEMBL374182 0.88 EGFR (0.49) NPC1RAB9AEGFRERBB3MEN1
SCHEMBL4872523 0.81 NPC1 (0.57) NPC1RAB9AEGFRERBB3AURKA
SCHEMBL4873959 0.81 AURKA (0.50) NPC1RAB9AEGFRERBB3AURKA
SCHEMBL5244511 0.80 NPC1 (0.56) NPC1RAB9AEGFRERBB3AURKA
SCHEMBL28806262 0.79 MEN1 (0.46) NPC1RAB9AEGFRERBB3MEN1
SCHEMBL2224374 0.78 TNNI3K (0.80) EGFRTNNI3K
SCHEMBL373960 0.77 EGFR (0.57) NPC1RAB9AEGFRERBB3MEN1
SCHEMBL22592520 0.75 L3MBTL1 (0.66) NPC1RAB9AEGFRERBB3MEN1
SCHEMBL4949084 0.75 ABL1 (0.51) SMN1; SMN2
SCHEMBL4877863 0.75 S1PR1 (0.46) NPC1RAB9AEGFRERBB3AURKA

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
EP-1976847-B1 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2015-06-17 EP disclosed
US-8759517-B2 Pyrirnidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8293746-B2 Pyrimidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors NOVARTIS AG 2008-12-18 US disclosed
EP-1976847-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS Novartis AG (CH) 2008-10-08 EP disclosed
WO-2007071752-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2007-06-28 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-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 NPC1 2441/4885RAB9A 1936/4885EGFR 17/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 NPC1 2441/4885RAB9A 1936/4885EGFR 17/4885

“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.