SCHEMBL9955836

SCHEMBL9955836

CN(C)c1ncc(-c2ccc3nc(-c4ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.46
CSNK1D P48730 10/20 0.43
CSNK1E P49674 10/20 0.43
RXFP1 Q9HBX9 1/20 0.41
RIPK1 Q13546 4/20 0.39
MTOR P42345 2/20 0.36
PIK3CD O00329 1/20 0.36
AKT1 P31749 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
TTK P33981 1/20 0.35

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
SCHEMBL9955711 0.89 PIK3CA (0.49) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956240 0.88 PIK3CA (0.46) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9955664 0.88 PIK3CA (0.44) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956146 0.86 RXFP1 (0.45) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956148 0.86 PIK3CA (0.46) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956952 0.86 RXFP1 (0.47) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956862 0.86 RXFP1 (0.47) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956868 0.86 RXFP1 (0.42) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956646 0.86 CSNK1D (0.53) PIK3CACSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9955007 0.86 RIPK1 (0.47) PIK3CACSNK1DCSNK1ERXFP1RIPK1

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 PIK3CA 475/4885CSNK1D 655/4885CSNK1E 852/4885

“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.