SCHEMBL15799217

SCHEMBL15799217

CCC(=O)NCC(Nc1cncc(-c2ccc3[nH]nc(F)c3c2)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 12/20 0.49
CDK2 P24941 8/20 0.49
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
CLK2 P49760 7/20 0.47
CLK3 P49761 7/20 0.47
DYRK1A Q13627 7/20 0.47
CDK1 P06493 1/20 0.42
CDK9 P50750 1/20 0.42
CDK3 Q00526 1/20 0.42
CDK6 Q00534 1/20 0.42

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
SCHEMBL15799216 1.00 CDK7 (0.49) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799214 1.00 CDK7 (0.49) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799463 0.92 CDK7 (0.52) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799466 0.92 CDK7 (0.52) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799468 0.92 CDK7 (0.52) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799851 0.92 CDK7 (0.48) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799850 0.92 CDK7 (0.48) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799853 0.92 CDK7 (0.48) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799805 0.90 CDK7 (0.49) CDK7CDK2CCNCCDK8CLK2
SCHEMBL15799809 0.90 CDK7 (0.49) CDK7CDK2CCNCCDK8CLK2

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
US-20150266878-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-09-24 US claimed
EP-2928893-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
US-20150266878-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-09-24 US disclosed
WO-2014090692-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-06-19 WO 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-20150266878-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER RB1, TP53, BRD4 CDK7 75/4885CDK2 10/4885CCNC 137/4885

“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.