SCHEMBL9956734

SCHEMBL9956734

CCOc1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)c4ccccc4F)c3)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RIPK1 Q13546 1/20 0.40
POLB P06746 2/20 0.40
NTRK1 P04629 6/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL9956278 0.89 RXFP1 (0.47) RXFP1GAACSNK1DCSNK1EKDM4E
SCHEMBL9955278 0.85 PTGES (0.43) RXFP1KDM4EHPGDRIPK1POLB
SCHEMBL9956844 0.85 RXFP1 (0.43) RXFP1CSNK1DCSNK1EKDM4ETP53
SCHEMBL9955778 0.84 RXFP1 (0.49) RXFP1L3MBTL1KDM4ELMNATP53
SCHEMBL9955986 0.84 KDM4E (0.43) RXFP1CSNK1DCSNK1EKDM4ELMNA
SCHEMBL9956379 0.83 RXFP1 (0.42) RXFP1CSNK1DCSNK1EKDM4ELMNA
SCHEMBL9954724 0.83 RXFP1 (0.45) RXFP1GAACSNK1DCSNK1EKDM4E
SCHEMBL9955424 0.82 KDR (0.41) RXFP1CSNK1DCSNK1EKDM4E
SCHEMBL9956035 0.81 KDM4E (0.42) RXFP1CSNK1DCSNK1EKDM4ELMNA
SCHEMBL9956016 0.80 KDM4E (0.42) RXFP1CSNK1DCSNK1EKDM4E

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 1308/4885L3MBTL1 2902/4885GAA 2741/4885

“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.