SCHEMBL9957320

SCHEMBL9957320

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
NTRK1 P04629 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47
MAPK8 P45983 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
RPS6KA3 P51812 1/20 0.47
LIMK1 P53667 1/20 0.47
MAP2K1 Q02750 1/20 0.47
PRKCQ Q04759 1/20 0.47

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
SCHEMBL9956786 0.93 CSNK1D (0.42) AURKADAPK3JAK2MAP4K4ABL1
SCHEMBL9956538 0.92 MAPT (0.46) AURKADAPK3JAK2MAP4K4ABL1
SCHEMBL9957095 0.91 PIK3CG (0.52) FYNPIK3CGCSNK1DCSNK1ETTK
SCHEMBL9957330 0.91 MAPT (0.43) TP53MAPTPIK3CGCSNK1DCSNK1E
SCHEMBL9955529 0.91 PIK3CG (0.43) PIK3CGCSNK1DCSNK1ETTKRIPK1
SCHEMBL9956458 0.90 CSNK1D (0.42) FYNMAPTCSNK1DCSNK1ETTK
SCHEMBL9957069 0.88 RXFP1 (0.46) AURKADAPK3JAK2MAP4K4ABL1
SCHEMBL9957221 0.87 CSNK1D (0.44) TP53MAPTCSNK1DCSNK1ETTK
SCHEMBL9956973 0.87 FYN (0.44) CSF1RFYNCSNK1DCSNK1ERIPK1
SCHEMBL9955311 0.87 CSNK1D (0.41) ABL1FYNMAPTCSNK1DCSNK1E

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 AURKA 273/4885DAPK3 2199/4885JAK2 24/4885

“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.