SCHEMBL9957095

SCHEMBL9957095

CNC(=O)c1cccc(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.52
NR4A2 P43354 1/20 0.47
FYN P06241 4/20 0.43
TTK P33981 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CSNK1D P48730 6/20 0.41
CSNK1E P49674 6/20 0.41
POLB P06746 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
RIPK1 Q13546 2/20 0.40
ADORA1 P30542 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
SCHEMBL9955529 0.93 PIK3CG (0.43) PIK3CGNR4A2TTKKDM4EALDH1A1
SCHEMBL9956631 0.93 PIK3CG (0.42) PIK3CGNR4A2TTKALDH1A1CSNK1D
SCHEMBL9956786 0.92 CSNK1D (0.42) PIK3CGTTKKDM4EALDH1A1LMNA
SCHEMBL9957320 0.91 AURKA (0.47) PIK3CGFYNTTKCSNK1DCSNK1E
SCHEMBL9957330 0.89 MAPT (0.43) PIK3CGTTKKDM4EALDH1A1LMNA
SCHEMBL9956535 0.88 HDAC2 (0.42) PIK3CGTTKKDM4EALDH1A1LMNA
SCHEMBL9956458 0.88 CSNK1D (0.42) FYNTTKLMNACSNK1DCSNK1E
SCHEMBL9957221 0.86 CSNK1D (0.44) TTKKDM4EALDH1A1LMNACSNK1D
SCHEMBL9955573 0.86 CSNK1D (0.40) PIK3CGTTKALDH1A1CSNK1DCSNK1E
SCHEMBL9956973 0.85 FYN (0.44) FYNKDM4EALDH1A1CSNK1DCSNK1E

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 1847/4885NR4A2 445/4885FYN 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.