SCHEMBL9955901

SCHEMBL9955901

Cc1ccc(-c2cn3nc(-c4ccc(C(F)(F)F)cn4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.44
CSNK1E P49674 9/20 0.44
MCHR1 Q99705 2/20 0.40
PIK3CA P42336 1/20 0.40
RIPK1 Q13546 6/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9955307 0.89 CSNK1D (0.43) CSNK1DCSNK1EPIK3CARIPK1MAPT
SCHEMBL9957154 0.87 MAPT (0.46) CSNK1DCSNK1ERIPK1ALDH1A1MAPT
SCHEMBL9956407 0.87 CSNK1D (0.43) CSNK1DCSNK1ERIPK1MAPT
SCHEMBL10280468 0.87 CSNK1D (0.42) CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956973 0.86 FYN (0.44) CSNK1DCSNK1ERIPK1ALDH1A1
SCHEMBL9957039 0.86 CSNK1D (0.45) CSNK1DCSNK1EPIK3CARIPK1MAPT
SCHEMBL9956782 0.86 RIPK1 (0.46) CSNK1DCSNK1ERIPK1
SCHEMBL9957127 0.86 CSNK1D (0.42) CSNK1DCSNK1EPIK3CARIPK1MAPT
SCHEMBL9956890 0.84 CSNK1D (0.44) CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956235 0.84 CSNK1D (0.42) CSNK1DCSNK1EPIK3CARIPK1MAPT

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 CSNK1D 655/4885CSNK1E 852/4885MCHR1 2098/4885

“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.