SCHEMBL9957032

SCHEMBL9957032

COc1ccc2nc(-c3ccc(Cl)c(NC(=O)CC(F)(F)F)c3)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
RXFP1 Q9HBX9 8/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
TTK P33981 1/20 0.39
THRB P10828 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
RBP4 P02753 1/20 0.37
POLB P06746 1/20 0.37
RIPK1 Q13546 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9956592 0.88 RXFP1 (0.41) RXFP1LMNATP53MAPTTHRB
SCHEMBL9956047 0.85 PTGES (0.41) CSNK1DCSNK1ERXFP1LMNATP53
SCHEMBL9955880 0.85 TP53 (0.42) CSNK1DCSNK1ERXFP1LMNATP53
SCHEMBL9957135 0.80 KDR (0.48) CSNK1DCSNK1ERXFP1LMNAMAPT
SCHEMBL9956314 0.78 CSNK1D (0.46) CSNK1DCSNK1ERXFP1TP53TTK
SCHEMBL9957607 0.76 THRB (0.52) RXFP1LMNATP53MAPTTHRB
SCHEMBL9954724 0.76 RXFP1 (0.45) CSNK1DCSNK1ERXFP1LMNATP53
SCHEMBL9955145 0.76 LMNA (0.46) RXFP1LMNATP53MAPTNPC1
SCHEMBL9957558 0.76 RBP4 (0.44) CSNK1DCSNK1ERXFP1LMNATP53
SCHEMBL9956503 0.75 CSNK1D (0.41) CSNK1DCSNK1ERXFP1TP53POLB

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 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.