SCHEMBL9955424

SCHEMBL9955424

CCOc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C4CC4)c3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.41
JAK1 P23458 6/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MET P08581 2/20 0.40
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
RBP4 P02753 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
SCHEMBL9956035 0.97 KDM4E (0.42) KDRJAK1KDM4EHSD17B10RXFP1
SCHEMBL9956016 0.96 KDM4E (0.42) KDRJAK1KDM4EHSD17B10RXFP1
SCHEMBL9955278 0.87 PTGES (0.43) KDM4ERXFP1
SCHEMBL9956844 0.87 RXFP1 (0.43) KDRKDM4ERXFP1CSNK1DCSNK1E
SCHEMBL9956379 0.85 RXFP1 (0.42) KDM4ERXFP1CSNK1DCSNK1ERBP4
SCHEMBL9954724 0.85 RXFP1 (0.45) KDM4ERXFP1CSNK1DCSNK1ERBP4
SCHEMBL9956278 0.84 RXFP1 (0.47) KDRKDM4ERXFP1CSNK1DCSNK1E
SCHEMBL9955778 0.83 RXFP1 (0.49) KDM4ERXFP1
SCHEMBL9956734 0.82 RXFP1 (0.43) KDM4ERXFP1CSNK1DCSNK1E
SCHEMBL9955986 0.81 KDM4E (0.43) KDM4ERXFP1CSNK1DCSNK1E

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 KDR 1625/4885JAK1 371/4885KDM4E 2693/4885

“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.