SCHEMBL9956834

SCHEMBL9956834

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(NC4CCC(O)CC4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.40
KCNH2 Q12809 3/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
JAK2 O60674 1/20 0.40
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40
JAK3 P52333 1/20 0.40
PRKCQ Q04759 1/20 0.40
CSNK1D P48730 4/20 0.39
CSNK1E P49674 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PIK3CA P42336 1/20 0.36
KDR P35968 1/20 0.36
RIPK1 Q13546 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL9957187 1.00 PIM1 (0.40) PIM1KCNH2IRAK4JAK2CDK2
SCHEMBL10280478 0.94 CSNK1D (0.39) PIM1IRAK4CSNK1DCSNK1ERXFP1
SCHEMBL9956473 0.92 SYK (0.40) PIM1IRAK4FLT3GSK3BCSNK1D
SCHEMBL9957192 0.88 IRAK4 (0.40) IRAK4CSNK1DCSNK1ERXFP1PIK3CA
SCHEMBL9956857 0.86 CSNK1D (0.43) CSNK1DCSNK1ERXFP1PIK3CARIPK1
SCHEMBL9956556 0.84 RBP4 (0.47) CSNK1DCSNK1ERXFP1PIK3CAKDR
SCHEMBL9955120 0.84 KDR (0.40) PIM1CSNK1DCSNK1ERXFP1PIK3CA
SCHEMBL9956696 0.84 RBP4 (0.42) KCNH2CSNK1DCSNK1ERXFP1PIK3CA
SCHEMBL9957462 0.82 RBP4 (0.44) CSNK1DCSNK1ERXFP1PIK3CAKDR
SCHEMBL9956077 0.82 RXFP1 (0.44) CSNK1DCSNK1ERXFP1PIK3CARIPK1

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 6 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
WO-2024254601-A1 HPGD INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. (US) 2024-12-12 WO disclosed
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
WO-2012088266-A2 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 INCYTE CORPORATION (US) 2012-06-28 WO 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 PIM1 2354/4885KCNH2 584/4885IRAK4 2508/4885

“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.