SCHEMBL9956967

SCHEMBL9956967

COc1ccc2nc(-c3cc(NC(=O)C4CC4)ccc3Cl)cn2n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.52
MET P08581 4/20 0.45
MALT1 Q9UDY8 1/20 0.44
AURKA O14965 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FLT1 P17948 1/20 0.43
SUV39H2 Q9H5I1 2/20 0.42
BRAF P15056 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
SCHEMBL9956639 0.84 KDR (0.46) KDRSUV39H2
SCHEMBL9955145 0.83 LMNA (0.46) SUV39H2
SCHEMBL9957135 0.79 KDR (0.48) KDR
SCHEMBL13756388 0.78 KDR (0.64) KDRMETAURKAPDGFRBKIT
SCHEMBL9957216 0.71 KDR (0.39) KDRSUV39H2
SCHEMBL9955880 0.69 TP53 (0.42) KDR
SCHEMBL2520645 0.69 KDR (0.77) KDRMETAURKAPDGFRBKIT
SCHEMBL2516830 0.68 KDR (0.85) KDRMETAURKAPDGFRBKIT
SCHEMBL12205926 0.68 KDR (1.00) KDRMETAURKAPDGFRBKIT
SCHEMBL2517019 0.68 KDR (0.68) KDRMETAURKAPDGFRBKIT

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 KDR 1625/4885MET 2796/4885MALT1 1468/4885

“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.