SCHEMBL9956702

SCHEMBL9956702

COc1ccc2nc(-c3cc(NC(=O)C(C)(C)C)c(C)cc3C)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
CSNK1D P48730 4/20 0.36
CSNK1E P49674 4/20 0.36
RBP4 P02753 1/20 0.36
TP53 P04637 4/20 0.36
RXFP1 Q9HBX9 2/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
ABL1 P00519 1/20 0.34
CSF1R P07333 1/20 0.34
YES1 P07947 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
BCR P11274 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
ABL2 P42684 1/20 0.34

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
SCHEMBL9957216 0.91 KDR (0.39) KDRCSNK1DCSNK1ERBP4TP53
SCHEMBL9956845 0.86 MAPT (0.42) KDRCSNK1DCSNK1ETP53RXFP1
SCHEMBL9955859 0.81 TP53 (0.36) TP53LMNAKDM4EPOLBMAPT
SCHEMBL9956639 0.79 KDR (0.46) KDRTP53RXFP1LMNAKDM4E
SCHEMBL9955880 0.79 TP53 (0.42) KDRCSNK1DCSNK1ETP53RXFP1
SCHEMBL9956738 0.78 KDM4E (0.38) KDRCSNK1DCSNK1ETP53RXFP1
SCHEMBL9957558 0.77 RBP4 (0.44) KDRCSNK1DCSNK1ERBP4TP53
SCHEMBL9956500 0.76 EGFR (0.44) KDRCSNK1DCSNK1ERBP4TP53
SCHEMBL9955992 0.71 CSNK1D (0.41) CSNK1DCSNK1ETP53RXFP1LMNA
SCHEMBL9957471 0.71 MAPT (0.44) CSNK1DCSNK1ETP53RXFP1LMNA

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 1625/4885CSNK1D 655/4885CSNK1E 852/4885

“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.