SCHEMBL9956232

SCHEMBL9956232

CCOC(=O)CC(=O)Nc1cc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 5/20 0.40
MAPT P10636 4/20 0.40
RXFP1 Q9HBX9 4/20 0.39
RIPK1 Q13546 2/20 0.39
MAPK1 P28482 1/20 0.37
MAPK14 Q16539 1/20 0.37
SMO Q99835 1/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 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
SCHEMBL10277169 0.94 KDM4E (0.43) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL17328333 0.91 POLB (0.42) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL9956205 0.88 KDM4E (0.41) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL9956280 0.88 MAPT (0.42) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL9956572 0.87 MAPT (0.42) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL17328346 0.87 MAPT (0.44) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL9955769 0.86 MAPT (0.43) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL9956694 0.86 MAPT (0.43) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL9956740 0.86 CSNK1D (0.42) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL9956496 0.85 MAPT (0.43) POLBKDM4EALDH1A1HPGDGLA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US claimed
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 POLB 958/4885KDM4E 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.