SCHEMBL9956475

SCHEMBL9956475

CC(=O)Nc1ccc(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.48
RIPK1 Q13546 10/20 0.46
CSNK1D P48730 3/20 0.45
CSNK1E P49674 3/20 0.45
AKT1 P31749 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43

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
SCHEMBL9957122 0.88 CSNK1D (0.44) PIK3CARIPK1CSNK1DCSNK1EPIK3CD
SCHEMBL9956871 0.88 RIPK1 (0.43) PIK3CARIPK1CSNK1DCSNK1EPIK3CD
SCHEMBL9957314 0.87 CSNK1D (0.44) PIK3CARIPK1CSNK1DCSNK1EAKT1
SCHEMBL9956201 0.87 CSNK1D (0.44) PIK3CARIPK1CSNK1DCSNK1EAKT1
SCHEMBL9955030 0.85 CSNK1D (0.43) PIK3CARIPK1CSNK1DCSNK1EAKT1
SCHEMBL9957039 0.85 CSNK1D (0.45) PIK3CARIPK1CSNK1DCSNK1EAKT1
SCHEMBL9956720 0.85 CSNK1D (0.43) PIK3CARIPK1CSNK1DCSNK1E
SCHEMBL9956538 0.85 MAPT (0.46) PIK3CARIPK1CSNK1DCSNK1EPIK3CD
SCHEMBL9957565 0.85 CSNK1D (0.44) PIK3CARIPK1CSNK1DCSNK1EPIK3CD
SCHEMBL9956830 0.84 RIPK1 (0.43) PIK3CARIPK1CSNK1DCSNK1EPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US claimed
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 PIK3CA 475/4885RIPK1 4566/4885CSNK1D 655/4885

“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.