SCHEMBL10280478

SCHEMBL10280478

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(NC4CCCC4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.39
CSNK1E P49674 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PIM1 P11309 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PIK3CA P42336 1/20 0.37
IRAK4 Q9NWZ3 5/20 0.36
KDR P35968 1/20 0.36
WDR5 P61964 1/20 0.36
RIPK1 Q13546 1/20 0.36
S1PR1 P21453 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PTGS2 P35354 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
SCHEMBL9956834 0.94 PIM1 (0.40) CSNK1DCSNK1ERXFP1PIM1PIK3CA
SCHEMBL9957187 0.94 PIM1 (0.40) CSNK1DCSNK1ERXFP1PIM1PIK3CA
SCHEMBL9956473 0.93 SYK (0.40) CSNK1DCSNK1ERXFP1PIM1PIK3CA
SCHEMBL9957192 0.90 IRAK4 (0.40) CSNK1DCSNK1ERXFP1PIK3CAIRAK4
SCHEMBL9957462 0.87 RBP4 (0.44) CSNK1DCSNK1ERXFP1NPC1RAB9A
SCHEMBL9956857 0.86 CSNK1D (0.43) CSNK1DCSNK1ERXFP1NPC1RAB9A
SCHEMBL9956556 0.85 RBP4 (0.47) CSNK1DCSNK1ERXFP1PIK3CAKDR
SCHEMBL9956077 0.82 RXFP1 (0.44) CSNK1DCSNK1ERXFP1PIK3CARIPK1
SCHEMBL9956525 0.82 RXFP1 (0.42) CSNK1DCSNK1ERXFP1PIK3CAIRAK4
SCHEMBL9956302 0.82 KDR (0.41) CSNK1DCSNK1ERXFP1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CSNK1D 655/4885CSNK1E 852/4885RXFP1 1308/4885

“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.