SCHEMBL9955532

SCHEMBL9955532

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(OCCN4CCCCC4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 2/20 0.40
KDR P35968 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
CSNK1D P48730 5/20 0.37
CSNK1E P49674 5/20 0.37
FLT3 P36888 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SYK P43405 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL9956687 0.92 PTGES (0.41) KDRCSNK1DCSNK1E
SCHEMBL9956951 0.89 RXFP1 (0.42) KDRRXFP1CSNK1DCSNK1EPDE10A
SCHEMBL9956844 0.86 RXFP1 (0.43) KDRRXFP1CSNK1DCSNK1EPDE10A
SCHEMBL9955439 0.85 PTGES (0.42) KDRRXFP1CSNK1DCSNK1EPDE10A
SCHEMBL9957558 0.83 RBP4 (0.44) KDRRXFP1CSNK1DCSNK1E
SCHEMBL9957500 0.83 RXFP1 (0.41) KDRRXFP1CSNK1DCSNK1EPDE10A
SCHEMBL9956228 0.82 RBP4 (0.45) RXFP1CSNK1DCSNK1E
SCHEMBL9956302 0.81 KDR (0.41) KDRRXFP1CSNK1DCSNK1E
SCHEMBL9955843 0.81 WDR5 (0.40) KDRRXFP1CSNK1DCSNK1E
SCHEMBL9956979 0.81 RXFP1 (0.41) KDRRXFP1CSNK1DCSNK1E

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 AVPR1B 2135/4885KDR 1625/4885RXFP1 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.