SCHEMBL9956016

SCHEMBL9956016

CCOc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C4CCCCC4)c3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CSNK1D P48730 4/20 0.41
CSNK1E P49674 4/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
KDR P35968 7/20 0.40
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK1 P23458 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
SCHEMBL9956035 0.99 KDM4E (0.42) KDM4EHSD17B10CSNK1DCSNK1EPIK3CD
SCHEMBL9955424 0.96 KDR (0.41) KDM4EHSD17B10CSNK1DCSNK1EKDR
SCHEMBL9956844 0.85 RXFP1 (0.43) KDM4ECSNK1DCSNK1EKDRRXFP1
SCHEMBL9955278 0.85 PTGES (0.43) KDM4ERXFP1
SCHEMBL9956379 0.83 RXFP1 (0.42) KDM4ECSNK1DCSNK1ERXFP1
SCHEMBL9954724 0.83 RXFP1 (0.45) KDM4ECSNK1DCSNK1ERXFP1SMN1; SMN2
SCHEMBL9956278 0.82 RXFP1 (0.47) KDM4ECSNK1DCSNK1EKDRRXFP1
SCHEMBL9955778 0.81 RXFP1 (0.49) KDM4ERXFP1SMN1; SMN2
SCHEMBL9956734 0.80 RXFP1 (0.43) KDM4ECSNK1DCSNK1ERXFP1
SCHEMBL9955986 0.79 KDM4E (0.43) KDM4ECSNK1DCSNK1ERXFP1SMN1; SMN2

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 KDM4E 2693/4885HSD17B10 3650/4885CSNK1D 655/4885

“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.