SCHEMBL9956687

SCHEMBL9956687

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(OCCN4CCOCC4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
MAPK14 Q16539 5/20 0.40
RET P07949 4/20 0.39
BRAF P15056 1/20 0.39
KIF5B P33176 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CSNK1D P48730 2/20 0.39
CSNK1E P49674 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
KDR P35968 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
NTRK1 P04629 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KMO O15229 2/20 0.38

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
SCHEMBL9955532 0.92 AVPR1B (0.40) CSNK1DCSNK1EKDR
SCHEMBL9956951 0.87 RXFP1 (0.42) CSNK1DCSNK1EPIK3CAKDR
SCHEMBL9956844 0.85 RXFP1 (0.43) PTGESCSNK1DCSNK1EPIK3CAKDR
SCHEMBL9957101 0.83 WDR5 (0.42) BRAFCSNK1DCSNK1EKDR
SCHEMBL9955439 0.83 PTGES (0.42) PTGESCSNK1DCSNK1EPIK3CAKDR
SCHEMBL9956020 0.82 RBP4 (0.48) CSNK1DCSNK1EPIK3CDPIK3CAPIK3CG
SCHEMBL9957558 0.82 RBP4 (0.44) CSNK1DCSNK1EPIK3CDPIK3CAPIK3CG
SCHEMBL9957500 0.82 RXFP1 (0.41) PTGESCSNK1DCSNK1EPIK3CAKDR
SCHEMBL9955843 0.80 WDR5 (0.40) CSNK1DCSNK1EKDR
SCHEMBL9956979 0.80 RXFP1 (0.41) CSNK1DCSNK1EPIK3CAKDR

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 2396/4885MAPK14 3647/4885RET 778/4885

“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.