SCHEMBL9955830

SCHEMBL9955830

COc1cccc(-c2ccc3nc(-c4ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.48
RXFP1 Q9HBX9 3/20 0.45
MAPT P10636 4/20 0.44
ALDH1A3 P47895 2/20 0.42
RORC P51449 1/20 0.42
DYRK1A Q13627 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
FYN P06241 1/20 0.41
TP53 P04637 4/20 0.41
LMNA P02545 1/20 0.41
PIK3CA P42336 1/20 0.40
HSD17B10 Q99714 2/20 0.40
RIPK1 Q13546 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL9955645 0.92 RXFP1 (0.46) PIK3CGRXFP1MAPTCSNK1DCSNK1E
SCHEMBL9956706 0.89 RXFP1 (0.47) RXFP1CSNK1DCSNK1EFYNPIK3CA
SCHEMBL9956532 0.89 CSNK1D (0.47) RXFP1MAPTCSNK1DCSNK1ETP53
SCHEMBL9955737 0.89 RXFP1 (0.47) RXFP1MAPTCSNK1DCSNK1EFYN
SCHEMBL9957069 0.88 RXFP1 (0.46) PIK3CGRXFP1MAPTCSNK1DCSNK1E
SCHEMBL9956964 0.87 CSNK1D (0.45) RXFP1MAPTCSNK1DCSNK1ETP53
SCHEMBL9955122 0.87 RXFP1 (0.42) RXFP1MAPTCSNK1DCSNK1ETP53
SCHEMBL9956148 0.86 PIK3CA (0.46) RXFP1CSNK1DCSNK1EPIK3CARIPK1
SCHEMBL9956146 0.86 RXFP1 (0.45) RXFP1MAPTCSNK1DCSNK1EFYN
SCHEMBL9956240 0.86 PIK3CA (0.46) RXFP1CSNK1DCSNK1EPIK3CARIPK1

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 PIK3CG 1847/4885RXFP1 1308/4885MAPT 4038/4885

“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.