SCHEMBL9955007

SCHEMBL9955007

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4ccc(C(F)(F)F)cc4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CSNK1D P48730 8/20 0.44
CSNK1E P49674 8/20 0.44
PIK3CA P42336 1/20 0.44
F2RL3 Q96RI0 1/20 0.39
TTK P33981 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TP53 P04637 1/20 0.38
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9957438 0.93 RXFP1 (0.46) RIPK1RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9956646 0.92 CSNK1D (0.53) RIPK1RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9956952 0.92 RXFP1 (0.47) RIPK1RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9956862 0.92 RXFP1 (0.47) RIPK1RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9956706 0.92 RXFP1 (0.47) RIPK1RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9956173 0.91 RXFP1 (0.46) RIPK1RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9955645 0.90 RXFP1 (0.46) RIPK1RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9955485 0.89 RIPK1 (0.49) RIPK1RXFP1CSNK1DCSNK1E
SCHEMBL9955664 0.89 PIK3CA (0.44) RIPK1RXFP1CSNK1DCSNK1EPIK3CA
SCHEMBL9955711 0.89 PIK3CA (0.49) RIPK1RXFP1CSNK1DCSNK1EPIK3CA

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 RIPK1 4566/4885RXFP1 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.