SCHEMBL15799142

SCHEMBL15799142

Cc1n[nH]c2ccc(-c3cncc(N[C@@H](CN)c4ccccc4)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
CDK7 P50613 13/20 0.51
CDK2 P24941 8/20 0.51
CLK2 P49760 4/20 0.45
CLK3 P49761 4/20 0.45
DYRK1A Q13627 4/20 0.45
AKT1 P31749 1/20 0.44

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
SCHEMBL15799081 0.90 CCNC (0.68) CCNCCDK8CDK7CDK2CLK2
SCHEMBL15799080 0.90 CCNC (0.68) CCNCCDK8CDK7CDK2CLK2
SCHEMBL15799000 0.84 CCNC (0.54) CCNCCDK8CDK7CDK2CLK2
SCHEMBL15799032 0.84 CCNC (0.49) CCNCCDK8CDK7CDK2CLK2
SCHEMBL15799004 0.84 CCNC (0.54) CCNCCDK8CDK7CDK2CLK2
SCHEMBL15799002 0.84 CCNC (0.54) CCNCCDK8CDK7CDK2CLK2
SCHEMBL15798956 0.84 CCNC (0.49) CCNCCDK8CDK7CDK2CLK2
SCHEMBL15799033 0.84 CCNC (0.49) CCNCCDK8CDK7CDK2CLK2
SCHEMBL6854768 0.84 CDK7 (0.53) CDK7CDK2AKT1
SCHEMBL15806946 0.83 CCNC (0.48) CCNCCDK8CDK7CDK2CLK2

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 CCNC 137/4885CDK8 384/4885CDK7 75/4885

“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.