SCHEMBL9956906

SCHEMBL9956906

Cc1ccc(-c2cn3nc(-c4ccc(OCC(=O)NO)cc4C(F)(F)F)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
CSNK1D P48730 7/20 0.38
CSNK1E P49674 7/20 0.38
RXFP1 Q9HBX9 4/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 2/20 0.37
RIPK1 Q13546 2/20 0.36
CETP P11597 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL9956364 0.92 MAPT (0.37) MAPTCSNK1DCSNK1ERXFP1TP53
SCHEMBL9956560 0.91 HDAC1 (0.38) MAPTCSNK1DCSNK1ERXFP1TP53
SCHEMBL9957125 0.91 HDAC1 (0.38) MAPTCSNK1DCSNK1ERXFP1TP53
SCHEMBL9956878 0.91 MAPT (0.38) MAPTCSNK1DCSNK1ERXFP1TP53
SCHEMBL10277200 0.86 PDK2 (0.37) MAPTCSNK1DCSNK1ERXFP1TP53
SCHEMBL9955468 0.85 PDK2 (0.38) MAPTCSNK1DCSNK1ERXFP1TP53
SCHEMBL10277116 0.85 PDK2 (0.36) MAPTCSNK1DCSNK1ERXFP1TP53
SCHEMBL10277278 0.85 CSNK1D (0.39) CSNK1DCSNK1ERXFP1RIPK1PIK3CA
SCHEMBL9956918 0.85 CSNK1D (0.38) MAPTCSNK1DCSNK1ERXFP1TP53
SCHEMBL9956293 0.85 CSNK1D (0.39) MAPTCSNK1DCSNK1ERXFP1TP53

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 MAPT 4038/4885CSNK1D 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.