SCHEMBL9955833

SCHEMBL9955833

COC(=O)CCCCCCNC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RIPK1 Q13546 7/20 0.35
CSNK1D P48730 5/20 0.35
CSNK1E P49674 5/20 0.35
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
S1PR1 P21453 1/20 0.34
EPHX2 P34913 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL9956513 0.87 RXFP1 (0.39) RXFP1CSNK1DCSNK1ES1PR1
SCHEMBL9956678 0.86 RXFP1 (0.40) RXFP1CSNK1DCSNK1ES1PR1
SCHEMBL10277278 0.85 CSNK1D (0.39) RXFP1RIPK1CSNK1DCSNK1EWDR5
SCHEMBL9956861 0.84 CSNK1D (0.41) RXFP1RIPK1CSNK1DCSNK1EWDR5
SCHEMBL9956915 0.83 CSNK1D (0.40) RXFP1RIPK1CSNK1DCSNK1EWDR5
SCHEMBL9955790 0.82 PDK2 (0.38) RXFP1RIPK1CSNK1DCSNK1EPDK2
SCHEMBL9956649 0.82 PDK2 (0.38) RXFP1RIPK1CSNK1DCSNK1EPDK2
SCHEMBL9955806 0.81 CSNK1D (0.39) RXFP1RIPK1CSNK1DCSNK1EWDR5
SCHEMBL9955468 0.81 PDK2 (0.38) RXFP1RIPK1CSNK1DCSNK1EPDK2
SCHEMBL9955682 0.80 CSNK1D (0.47) RIPK1CSNK1DCSNK1E

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 GCGR 928/4885GIPR 781/4885RXFP1 1308/4885

“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.