SCHEMBL15799164

SCHEMBL15799164

OCC(Nc1cncc(-c2cnc3[nH]ncc3c2)c1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.77
▸ CDK8 P49336 2/20 0.77
▸ CCNT1 O60563 8/20 0.54
▸ CDK9 P50750 8/20 0.54
▸ RPS6KB1 P23443 1/20 0.48
▸ CDK2 P24941 4/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ EGFR P00533 5/20 0.44
▸ FGFR1 P11362 4/20 0.43
▸ FGFR2 P21802 4/20 0.43
▸ FGFR3 P22607 4/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ ERBB2 P04626 2/20 0.42
▸ INSR P06213 2/20 0.42
▸ RET P07949 2/20 0.42
▸ PDGFRB P09619 2/20 0.42
▸ SRC P12931 2/20 0.42
▸ FGFR4 P22455 2/20 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
SCHEMBL15799162 1.00 CCNC (0.77) CCNCCDK8CCNT1CDK9RPS6KB1
SCHEMBL15799437 0.87 CCNC (1.00) CCNCCDK8CCNT1CDK9RPS6KB1
SCHEMBL15799438 0.87 CCNC (1.00) CCNCCDK8CCNT1CDK9RPS6KB1
SCHEMBL15799532 0.83 CCNC (0.74) CCNCCDK8CCNT1CDK9RPS6KB1
SCHEMBL15799533 0.83 CCNC (0.74) CCNCCDK8CCNT1CDK9RPS6KB1
SCHEMBL15870541 0.80 CCNC (0.67) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL15870532 0.79 CCNC (0.63) CCNCCDK8CCNT1CDK9CDK2
SCHEMBL15799155 0.78 CCNC (0.71) CCNCCDK8CCNT1CDK9RPS6KB1
SCHEMBL15799157 0.78 CCNC (0.71) CCNCCDK8CCNT1CDK9RPS6KB1
SCHEMBL15870552 0.77 CCNC (0.64) CCNCCDK8CCNT1CDK9RPS6KB1

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 384/4885CCNT1 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.

Send feedback