SCHEMBL9956873

SCHEMBL9956873

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CC[C@@H](O)C4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.40
LRRK2 Q5S007 3/20 0.40
KCNH2 Q12809 2/20 0.40
SCN5A Q14524 1/20 0.40
RBP4 P02753 3/20 0.39
DPP4 P27487 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CDK8 P49336 3/20 0.38
CCNC P24863 2/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
ITGB2 P05107 3/20 0.36
ICAM1 P05362 3/20 0.36
ITGAL P20701 3/20 0.36
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 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
SCHEMBL17328315 1.00 CLK2 (0.40) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL9955490 1.00 CLK2 (0.40) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL9956696 0.96 RBP4 (0.42) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL9956186 0.95 RBP4 (0.41) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL17328321 0.95 RBP4 (0.41) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL17328337 0.95 RBP4 (0.41) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL9957202 0.91 DPP4 (0.42) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL9955617 0.90 CDK8 (0.41) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL9956091 0.90 CLK2 (0.39) CLK2LRRK2KCNH2SCN5ARBP4
SCHEMBL9955624 0.90 CDK8 (0.41) CLK2LRRK2KCNH2SCN5ARBP4

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 CLK2 746/4885LRRK2 2501/4885KCNH2 584/4885

“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.