SCHEMBL9956883

SCHEMBL9956883

CC(=O)NC1CCN(c2ccc3nc(-c4ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.44
CCNC P24863 2/20 0.44
SYK P43405 2/20 0.43
ITGB2 P05107 4/20 0.42
ICAM1 P05362 4/20 0.42
ITGAL P20701 4/20 0.42
SMPD3 Q9NY59 4/20 0.41
MCHR1 Q99705 1/20 0.40
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
CLK2 P49760 2/20 0.38
LRRK2 Q5S007 2/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
CNR2 P34972 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.37
RBP4 P02753 1/20 0.37

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
SCHEMBL9955617 0.92 CDK8 (0.41) CDK8CCNCMCHR1NTRK1NTRK3
SCHEMBL9955624 0.92 CDK8 (0.41) CDK8CCNCMCHR1NTRK1NTRK3
SCHEMBL9956078 0.91 SYK (0.46) CDK8CCNCSYKITGB2ICAM1
SCHEMBL9957021 0.90 CDK8 (0.40) CDK8CCNCMCHR1NTRK1NTRK3
SCHEMBL9957023 0.90 CDK8 (0.40) CDK8CCNCMCHR1NTRK1NTRK3
SCHEMBL9956648 0.90 SMPD3 (0.42) CDK8CCNCSYKSMPD3
SCHEMBL9956873 0.89 CLK2 (0.40) CDK8CCNCITGB2ICAM1ITGAL
SCHEMBL17328315 0.89 CLK2 (0.40) CDK8CCNCITGB2ICAM1ITGAL
SCHEMBL9955490 0.89 CLK2 (0.40) CDK8CCNCITGB2ICAM1ITGAL
SCHEMBL9957202 0.88 DPP4 (0.42) CDK8CCNCSYKMCHR1NTRK1

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 CDK8 824/4885CCNC 611/4885SYK 1652/4885

“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.