SCHEMBL9955573

SCHEMBL9955573

CNC(=O)c1ccccc1-c1ccc2nc(-c3ccc(C)c(NC(=O)C(C)(C)C)c3)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 8/20 0.40
CSNK1E P49674 8/20 0.40
RIPK1 Q13546 4/20 0.40
TTK P33981 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX5AP P20292 1/20 0.36
POLB P06746 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL9956705 0.88 CSNK1D (0.42) CSNK1DCSNK1ERIPK1TTKPIK3CG
SCHEMBL9956830 0.86 RIPK1 (0.43) CSNK1DCSNK1ERIPK1TTKPIK3CG
SCHEMBL9956160 0.86 CSNK1D (0.45) CSNK1DCSNK1ERIPK1
SCHEMBL9955669 0.86 KDM4E (0.43) CSNK1DCSNK1ERIPK1TTKMAPT
SCHEMBL9957095 0.86 PIK3CG (0.52) CSNK1DCSNK1ERIPK1TTKPIK3CG
SCHEMBL9956631 0.85 PIK3CG (0.42) CSNK1DCSNK1ERIPK1TTKPIK3CG
SCHEMBL9956448 0.85 RXFP1 (0.46) CSNK1DCSNK1ERIPK1TTKMAPT
SCHEMBL9956892 0.84 CSNK1D (0.45) CSNK1DCSNK1EMAPTALDH1A1POLB
SCHEMBL9956540 0.83 MAPT (0.42) CSNK1DCSNK1EMAPTALDH1A1POLB
SCHEMBL9956282 0.83 RIPK1 (0.44) CSNK1DCSNK1ERIPK1MAPTPOLB

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 852/4885RIPK1 4566/4885

“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.