SCHEMBL9956017

SCHEMBL9956017

COc1cccc(-c2ccc3nc(-c4ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3n2)c1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 14/20 0.45
CSNK1E P49674 14/20 0.45
RXFP1 Q9HBX9 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
RIPK1 Q13546 1/20 0.39
MAPT P10636 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 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
SCHEMBL9956972 0.93 PIK3CD (0.46) CSNK1DCSNK1ERXFP1PIK3CDPIK3CG
SCHEMBL9955256 0.87 RIPK1 (0.44) CSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9954984 0.87 RXFP1 (0.46) CSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956574 0.86 RXFP1 (0.49) CSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956508 0.86 CSNK1D (0.49) CSNK1DCSNK1ERXFP1
SCHEMBL9956246 0.85 CSNK1D (0.44) CSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9956311 0.85 CSNK1D (0.44) CSNK1DCSNK1ERXFP1PIK3CDPIK3CG
SCHEMBL9955284 0.85 RXFP1 (0.42) CSNK1DCSNK1ERXFP1PIK3CDPIK3CG
SCHEMBL9957091 0.85 CSNK1D (0.42) CSNK1DCSNK1ERXFP1RIPK1MAPT
SCHEMBL9955830 0.85 PIK3CG (0.48) CSNK1DCSNK1ERXFP1PIK3CGRIPK1

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 CSNK1D 655/4885CSNK1E 852/4885RXFP1 1308/4885

“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.