SCHEMBL9956973

SCHEMBL9956973

Cc1ccc(-c2cn3nc(-c4cccc(C(F)(F)F)c4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GABRA1 P14867 1/20 0.44
HPGD P15428 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK1D P48730 3/20 0.43
CSNK1E P49674 3/20 0.43
F2RL3 Q96RI0 1/20 0.43
ADORA2A P29274 1/20 0.42
CSF1R P07333 1/20 0.42
KIT P10721 1/20 0.42

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
SCHEMBL9956706 0.91 RXFP1 (0.47) FYNKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL10280468 0.89 CSNK1D (0.42) CSNK1DCSNK1ERIPK1
SCHEMBL9956786 0.88 CSNK1D (0.42) KDM4EALDH1A1CSNK1DCSNK1ECSF1R
SCHEMBL9956458 0.88 CSNK1D (0.42) FYNCSNK1DCSNK1EADORA2ARIPK1
SCHEMBL9955307 0.88 CSNK1D (0.43) CSNK1DCSNK1ERIPK1
SCHEMBL9957320 0.87 AURKA (0.47) FYNCSNK1DCSNK1ECSF1RRIPK1
SCHEMBL9956782 0.87 RIPK1 (0.46) CSNK1DCSNK1ERIPK1
SCHEMBL9955901 0.86 CSNK1D (0.44) ALDH1A1CSNK1DCSNK1ERIPK1
SCHEMBL9956235 0.86 CSNK1D (0.42) CSNK1DCSNK1ERXFP1RIPK1
SCHEMBL9957039 0.85 CSNK1D (0.45) CSNK1DCSNK1ERIPK1

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 FYN 831/4885KDM4E 2693/4885ALDH1A1 334/4885

“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.