SCHEMBL9957069

SCHEMBL9957069

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
FGFR1 P11362 1/20 0.45
PRKACA P17612 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK8 P49336 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
RPS6KA3 P51812 1/20 0.45
LIMK1 P53667 1/20 0.45
MAP2K1 Q02750 1/20 0.45

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
SCHEMBL9956706 0.90 RXFP1 (0.47) RXFP1PIK3CACSNK1DCSNK1ERIPK1
SCHEMBL9956532 0.90 CSNK1D (0.47) RXFP1PIK3CACSNK1DCSNK1ERIPK1
SCHEMBL9955737 0.90 RXFP1 (0.47) RXFP1PIK3CACSNK1DCSNK1ERIPK1
SCHEMBL9957320 0.88 AURKA (0.47) AURKADAPK3JAK2MAP4K4ABL1
SCHEMBL9956146 0.88 RXFP1 (0.45) RXFP1PIK3CACSNK1DCSNK1ERIPK1
SCHEMBL9955830 0.88 PIK3CG (0.48) RXFP1PIK3CACSNK1DCSNK1ERIPK1
SCHEMBL9956460 0.88 PIK3CD (0.49) RXFP1PIK3CACSNK1DCSNK1ERIPK1
SCHEMBL9956063 0.88 RXFP1 (0.47) RXFP1NTRK1PIK3CACSNK1DCSNK1E
SCHEMBL9954976 0.88 RXFP1 (0.46) RXFP1PIK3CACSNK1DCSNK1ERIPK1
SCHEMBL9956952 0.87 RXFP1 (0.47) RXFP1PIK3CACSNK1DCSNK1ERIPK1

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 RXFP1 1308/4885AURKA 273/4885DAPK3 2199/4885

“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.