SCHEMBL9955439

SCHEMBL9955439

CC(C)OCCOc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.42
RXFP1 Q9HBX9 1/20 0.40
CSNK1D P48730 9/20 0.39
CSNK1E P49674 9/20 0.39
PIK3CA P42336 1/20 0.35
KDR P35968 1/20 0.35
PDE10A Q9Y233 1/20 0.35
RIPK1 Q13546 2/20 0.34
TTK P33981 1/20 0.34

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
SCHEMBL9956951 0.91 RXFP1 (0.42) RXFP1CSNK1DCSNK1EPIK3CAKDR
SCHEMBL9957500 0.88 RXFP1 (0.41) PTGESRXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9956979 0.88 RXFP1 (0.41) RXFP1CSNK1DCSNK1EPIK3CAKDR
SCHEMBL9956844 0.88 RXFP1 (0.43) PTGESRXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9957558 0.85 RBP4 (0.44) RXFP1CSNK1DCSNK1EPIK3CAKDR
SCHEMBL9955532 0.85 AVPR1B (0.40) RXFP1CSNK1DCSNK1EKDRPDE10A
SCHEMBL9956687 0.83 PTGES (0.41) PTGESCSNK1DCSNK1EPIK3CAKDR
SCHEMBL9956994 0.82 RXFP1 (0.42) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956379 0.81 RXFP1 (0.42) PTGESRXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9955278 0.81 PTGES (0.43) PTGESRXFP1PIK3CAPDE10ARIPK1

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 PTGES 2396/4885RXFP1 1308/4885CSNK1D 655/4885

“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.