SCHEMBL9955890

SCHEMBL9955890

CC(C)(C)C(=O)Nc1cc(-c2cn3nc(Cc4ccccc4)ccc3n2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
CSNK1D P48730 9/20 0.43
CSNK1E P49674 9/20 0.43
TTK P33981 1/20 0.39
RIPK1 Q13546 1/20 0.38
MAPT P10636 2/20 0.37
PDE10A Q9Y233 1/20 0.37
PIK3CA P42336 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37
CRHBP P24387 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL9956063 0.87 RXFP1 (0.47) RXFP1CSNK1DCSNK1ERIPK1PIK3CA
SCHEMBL9956574 0.85 RXFP1 (0.49) RXFP1CSNK1DCSNK1ETTKRIPK1
SCHEMBL9956857 0.83 CSNK1D (0.43) RXFP1CSNK1DCSNK1ETTKRIPK1
SCHEMBL9956077 0.83 RXFP1 (0.44) RXFP1CSNK1DCSNK1ETTKRIPK1
SCHEMBL9956564 0.83 RXFP1 (0.46) RXFP1CSNK1DCSNK1ETTKRIPK1
SCHEMBL9954984 0.83 RXFP1 (0.46) RXFP1CSNK1DCSNK1ETTKRIPK1
SCHEMBL9957310 0.83 RXFP1 (0.46) RXFP1CSNK1DCSNK1ETTKRIPK1
SCHEMBL9955602 0.83 RXFP1 (0.44) RXFP1CSNK1DCSNK1ETTKRIPK1
SCHEMBL9956862 0.83 RXFP1 (0.47) RXFP1CSNK1DCSNK1ETTKRIPK1
SCHEMBL9956646 0.83 CSNK1D (0.53) RXFP1CSNK1DCSNK1ERIPK1PIK3CA

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 1308/4885CSNK1D 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.