SCHEMBL9957323

SCHEMBL9957323

COCCN(C)c1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.40
CSNK1E P49674 6/20 0.40
RXFP1 Q9HBX9 2/20 0.40
DGAT1 O75907 6/20 0.38
RIPK1 Q13546 1/20 0.36
MPL P40238 2/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL9957184 0.93 CSNK1D (0.41) CSNK1DCSNK1ERXFP1DGAT1RIPK1
SCHEMBL9956559 0.91 RXFP1 (0.41) CSNK1DCSNK1ERXFP1DGAT1RIPK1
SCHEMBL9956868 0.87 RXFP1 (0.42) CSNK1DCSNK1ERXFP1RIPK1LMNA
SCHEMBL9956955 0.85 RXFP1 (0.42) CSNK1DCSNK1ERXFP1RIPK1LMNA
SCHEMBL9957558 0.82 RBP4 (0.44) CSNK1DCSNK1ERXFP1RIPK1LMNA
SCHEMBL9956077 0.81 RXFP1 (0.44) CSNK1DCSNK1ERXFP1RIPK1LMNA
SCHEMBL9956951 0.80 RXFP1 (0.42) CSNK1DCSNK1ERXFP1RIPK1LMNA
SCHEMBL9956093 0.80 RXFP1 (0.44) CSNK1DCSNK1ERXFP1RIPK1LMNA
SCHEMBL9956844 0.79 RXFP1 (0.43) CSNK1DCSNK1ERXFP1RIPK1TP53
SCHEMBL9955645 0.79 RXFP1 (0.46) CSNK1DCSNK1ERXFP1RIPK1LMNA

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.