SCHEMBL15799392

SCHEMBL15799392

NC(=O)C(Nc1cncc(-c2ccc3[nH]ncc3c2)c1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.68
CDK8 P49336 1/20 0.68
CCNT1 O60563 1/20 0.48
CDK9 P50750 1/20 0.48
DYRK3 O43781 2/20 0.48
CLK2 P49760 2/20 0.48
GSK3B P49841 2/20 0.48
DYRK1A Q13627 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
CLK1 P49759 2/20 0.48
CLK3 P49761 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
SYK P43405 1/20 0.48
ROCK2 O75116 9/20 0.47
ROCK1 Q13464 8/20 0.47
ATR Q13535 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL15799077 1.00 CCNC (0.68) CCNCCDK8CCNT1CDK9DYRK3
SCHEMBL15799826 1.00 CCNC (0.68) CCNCCDK8CCNT1CDK9DYRK3
SCHEMBL15799141 0.82 CDK7 (0.52) CCNCCDK8CDK7CDK2
SCHEMBL15799176 0.82 CDK7 (0.52) CCNCCDK8CDK7CDK2
SCHEMBL15799180 0.82 CDK7 (0.52) CCNCCDK8CDK7CDK2
SCHEMBL24137845 0.81 CCNC (0.71) CCNCCDK8CCNT1CDK9DYRK3
SCHEMBL15799438 0.81 CCNC (1.00) CCNCCDK8CCNT1CDK9DYRK3
SCHEMBL15799437 0.81 CCNC (1.00) CCNCCDK8CCNT1CDK9DYRK3
SCHEMBL15799149 0.81 CDK7 (0.51) CCNCCDK8DYRK1ACDK7CDK2
SCHEMBL15799500 0.81 CDK7 (0.51) CCNCCDK8CDK9CDK7CDK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928893-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2015-10-14 EP claimed
US-20150266878-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-09-24 US claimed
WO-2014090692-A1 NOVEL BI-RING PHENYL-PYRIDINES/PYRAZINES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-06-19 WO 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

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 384/4885CCNT1 224/4885

“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.