SCHEMBL9956669

SCHEMBL9956669

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(N4CCC(N)CC4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.41
DPP4 P27487 2/20 0.39
DPP9 Q86TI2 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CLK2 P49760 2/20 0.37
LRRK2 Q5S007 2/20 0.37
KCNH2 Q12809 2/20 0.37
SCN5A Q14524 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
PRKCA P17252 2/20 0.36
FLT3 P36888 2/20 0.36
PRKCQ Q04759 2/20 0.36
GSK3B P49841 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPT P10636 2/20 0.35
CKS1B P61024 1/20 0.35

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
SCHEMBL9957202 0.95 DPP4 (0.42) RBP4DPP4DPP9IRAK4DPP8
SCHEMBL9956696 0.93 RBP4 (0.42) RBP4DPP4DPP9DPP8DPP7
SCHEMBL9955389 0.92 NPC1 (0.42) RBP4DPP4DPP9DPP8DPP7
SCHEMBL9956228 0.90 RBP4 (0.45) RBP4RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9955490 0.89 CLK2 (0.40) RBP4DPP4DPP9IRAK4DPP8
SCHEMBL17328315 0.89 CLK2 (0.40) RBP4DPP4DPP9IRAK4DPP8
SCHEMBL9956873 0.89 CLK2 (0.40) RBP4DPP4DPP9IRAK4DPP8
SCHEMBL9957086 0.89 WDR5 (0.40) RBP4IRAK4RXFP1CSNK1DCSNK1E
SCHEMBL9957029 0.88 RXFP1 (0.39) RBP4RXFP1CLK2LRRK2KCNH2
SCHEMBL9956020 0.88 RBP4 (0.48) RBP4RXFP1CLK2CSNK1DCSNK1E

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 RBP4 4304/4885DPP4 2986/4885DPP9 4091/4885

“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.