SCHEMBL9956856

SCHEMBL9956856

COc1cncc(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.50
FYN P06241 1/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CYP3A4 P08684 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
KCNH2 Q12809 1/20 0.40
CSNK1D P48730 2/20 0.40
CSNK1E P49674 2/20 0.40
PIK3CA P42336 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL9955717 0.88 CSNK1D (0.41) PIK3CGMAPTCYP3A4ADORA2AADORA1
SCHEMBL9956621 0.88 CSNK1D (0.47) PIK3CGCSNK1DCSNK1EPIK3CA
SCHEMBL10280468 0.86 CSNK1D (0.42) CSNK1DCSNK1EPIK3CA
SCHEMBL9955473 0.84 ALDH1A1 (0.46) MAPTLMNATP53RXFP1ADORA1
SCHEMBL9956845 0.83 MAPT (0.42) PIK3CGMAPTLMNATP53RXFP1
SCHEMBL9957565 0.83 CSNK1D (0.44) PIK3CGMAPTLMNATP53RXFP1
SCHEMBL9957122 0.83 CSNK1D (0.44) PIK3CGMAPTCSNK1DCSNK1EPIK3CA
SCHEMBL9957221 0.82 CSNK1D (0.44) MAPTLMNATP53RXFP1ADORA1
SCHEMBL9957147 0.82 CSNK1D (0.44) MAPTLMNATP53RXFP1ADORA1
SCHEMBL9957330 0.82 MAPT (0.43) PIK3CGMAPTLMNATP53RXFP1

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 PIK3CG 1847/4885FYN 831/4885MAPT 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.