SCHEMBL9956500

SCHEMBL9956500

COc1ccc2nc(-c3ccc(OC(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.44
FGFR1 P11362 2/20 0.44
KDR P35968 5/20 0.43
CSNK1D P48730 4/20 0.40
CSNK1E P49674 4/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TP53 P04637 1/20 0.38
RBP4 P02753 1/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL9956664 0.90 KDR (0.43) EGFRFGFR1KDRCSNK1DCSNK1E
SCHEMBL9956169 0.88 EGFR (0.43) EGFRFGFR1KDRCSNK1DCSNK1E
SCHEMBL9956370 0.88 KDR (0.41) EGFRFGFR1KDRCSNK1DCSNK1E
SCHEMBL9957558 0.87 RBP4 (0.44) KDRCSNK1DCSNK1EPIK3CDPIK3CA
SCHEMBL9956845 0.85 MAPT (0.42) KDRCSNK1DCSNK1EPIK3CDPIK3CA
SCHEMBL9955880 0.85 TP53 (0.42) KDRCSNK1DCSNK1EPIK3CDPIK3CA
SCHEMBL9957081 0.83 WNT3A (0.45) EGFRFGFR1KDRCSNK1DCSNK1E
SCHEMBL9955445 0.82 KDR (0.39) EGFRFGFR1KDRCSNK1DCSNK1E
SCHEMBL9955948 0.82 GAA (0.41) EGFRFGFR1KDRCSNK1DCSNK1E
SCHEMBL9955000 0.81 SMO (0.38) EGFRFGFR1KDRCSNK1DCSNK1E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP claimed
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI (USA), LTD. 2012-07-12 US claimed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO claimed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP 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 (1 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-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PRXL2A, CDK2, CCNA2 EGFR 576/4885FGFR1 660/4885KDR 1625/4885

“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.