SCHEMBL9955948

SCHEMBL9955948

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCOCC4)ccc3n2)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
RBP4 P02753 1/20 0.41
KDR P35968 3/20 0.41
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.41
WNT3A P56704 9/20 0.40
DYRK1A Q13627 1/20 0.39
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL9955445 0.90 KDR (0.39) RBP4KDREGFRFGFR1CSNK1D
SCHEMBL9955566 0.88 POLB (0.41) KDREGFRFGFR1CSNK1DCSNK1E
SCHEMBL9956020 0.87 RBP4 (0.48) GAARBP4CSNK1DCSNK1EKDM4E
SCHEMBL9955000 0.87 SMO (0.38) KDREGFRFGFR1WNT3ACSNK1D
SCHEMBL9957064 0.87 SMO (0.38) KDREGFRFGFR1WNT3ACSNK1D
SCHEMBL9956145 0.86 RBP4 (0.41) GAARBP4CSNK1DCSNK1EKDM4E
SCHEMBL9956169 0.83 EGFR (0.43) KDREGFRFGFR1CSNK1DCSNK1E
SCHEMBL9956500 0.82 EGFR (0.44) RBP4KDREGFRFGFR1CSNK1D
SCHEMBL9956034 0.80 RBP4 (0.45) RBP4EGFRFGFR1DYRK1ACSNK1D
SCHEMBL9956664 0.80 KDR (0.43) KDREGFRFGFR1CSNK1DCSNK1E

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 GAA 2741/4885RBP4 4304/4885KDR 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.