SCHEMBL9957202

SCHEMBL9957202

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(N)C4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
DPP9 Q86TI2 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
KCNH2 Q12809 3/20 0.39
CLK2 P49760 2/20 0.39
LRRK2 Q5S007 2/20 0.39
SCN5A Q14524 1/20 0.39
RBP4 P02753 2/20 0.39
SYK P43405 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CYP2D6 P10635 2/20 0.37
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
IRAK4 Q9NWZ3 5/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MCHR1 Q99705 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 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
SCHEMBL9956669 0.95 RBP4 (0.41) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL17328315 0.91 CLK2 (0.40) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL9956873 0.91 CLK2 (0.40) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL9955490 0.91 CLK2 (0.40) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL9956696 0.90 RBP4 (0.42) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL9956091 0.90 CLK2 (0.39) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL9955617 0.90 CDK8 (0.41) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL9956094 0.90 CLK2 (0.39) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL9955624 0.90 CDK8 (0.41) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL9955389 0.89 NPC1 (0.42) DPP4DPP9DPP8DPP7KCNH2

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 DPP4 2986/4885DPP9 4091/4885DPP8 3601/4885

“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.