SCHEMBL15799080

SCHEMBL15799080

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

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.68
CDK8 P49336 1/20 0.68
CDK2 P24941 8/20 0.61
CDK7 P50613 7/20 0.61
CCNT1 O60563 6/20 0.51
CDK9 P50750 6/20 0.51
FGFR1 P11362 5/20 0.51
FGFR2 P21802 5/20 0.51
FGFR3 P22607 5/20 0.51
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
DYRK1A Q13627 1/20 0.47

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 1.00 CCNC (0.68) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15799142 0.90 CCNC (0.54) CCNCCDK8CDK2CDK7CLK2
SCHEMBL15799346 0.90 CCNC (0.68) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15799347 0.90 CCNC (0.68) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15799390 0.89 CCNC (0.64) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15799388 0.89 CCNC (0.64) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15806898 0.89 CCNC (0.67) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15799622 0.89 CCNC (0.67) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15799620 0.89 CCNC (0.67) CCNCCDK8CDK2CDK7CCNT1
SCHEMBL15799004 0.88 CCNC (0.54) CCNCCDK8CDK2CDK7CDK9

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 6 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
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
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 384/4885CDK2 10/4885

“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.