SCHEMBL9956706

SCHEMBL9956706

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(-c4cccc(C(F)(F)F)c4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
RIPK1 Q13546 3/20 0.45
FYN P06241 1/20 0.44
CSNK1D P48730 4/20 0.43
CSNK1E P49674 4/20 0.43
F2RL3 Q96RI0 1/20 0.43
PIK3CA P42336 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
HPGD P15428 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9955007 0.92 RIPK1 (0.47) RXFP1RIPK1CSNK1DCSNK1EF2RL3
SCHEMBL9956532 0.91 CSNK1D (0.47) RXFP1RIPK1CSNK1DCSNK1EPIK3CA
SCHEMBL9955737 0.91 RXFP1 (0.47) RXFP1RIPK1FYNCSNK1DCSNK1E
SCHEMBL9956973 0.91 FYN (0.44) RXFP1RIPK1FYNCSNK1DCSNK1E
SCHEMBL9957069 0.90 RXFP1 (0.46) RXFP1RIPK1FYNCSNK1DCSNK1E
SCHEMBL9956146 0.89 RXFP1 (0.45) RXFP1RIPK1FYNCSNK1DCSNK1E
SCHEMBL9955830 0.89 PIK3CG (0.48) RXFP1RIPK1FYNCSNK1DCSNK1E
SCHEMBL9956460 0.89 PIK3CD (0.49) RXFP1RIPK1CSNK1DCSNK1EPIK3CA
SCHEMBL9956063 0.89 RXFP1 (0.47) RXFP1RIPK1FYNCSNK1DCSNK1E
SCHEMBL9954976 0.88 RXFP1 (0.46) RXFP1RIPK1CSNK1DCSNK1EPIK3CA

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 RXFP1 1308/4885RIPK1 4566/4885FYN 831/4885

“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.