SCHEMBL15569765

SCHEMBL15569765

NC(=O)C(Nc1cncc(-c2ccc(O)c(Cl)c2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 12/20 0.47
SLC22A12 Q96S37 12/20 0.47
CCNC P24863 2/20 0.45
CDK8 P49336 2/20 0.45
ESR2 Q92731 1/20 0.43
FDPS P14324 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
AURKB Q96GD4 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
CNR1 P21554 1/20 0.40
ADORA2A P29274 1/20 0.40
SMO Q99835 1/20 0.39

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
SCHEMBL15570215 1.00 XDH (0.47) XDHSLC22A12CCNCCDK8ESR2
SCHEMBL31624680 1.00 XDH (0.47) XDHSLC22A12CCNCCDK8ESR2
SCHEMBL15569764 1.00 XDH (0.47) XDHSLC22A12CCNCCDK8ESR2
SCHEMBL15569878 0.88 XDH (0.54) XDHSLC22A12CCNCCDK8FDPS
SCHEMBL15569877 0.85 CNR1 (0.47) XDHSLC22A12CCNCCDK8FDPS
SCHEMBL15569629 0.81 CCNC (0.67) CCNCCDK8ESR2CYP3A4CYP2C9
SCHEMBL15569392 0.81 CCNC (0.67) CCNCCDK8ESR2CYP3A4CYP2C9
SCHEMBL15569612 0.81 CCNC (0.67) CCNCCDK8ESR2CYP3A4CYP2C9
SCHEMBL15864598 0.80 CCNC (0.66) XDHSLC22A12CCNCCDK8ESR2
SCHEMBL15799500 0.79 CDK7 (0.51) CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458106-B2 Phenyl-pyridine/pyrazine amides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US claimed
EP-2888232-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2015-07-01 EP claimed
US-20150158815-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US claimed
WO-2014029726-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-02-27 WO claimed
CN-114921468-A Novel compound and method for producing regulatory T cell 国立大学法人京都大学 2022-08-19 CN disclosed
CN-110234648-B Novel compound and method for producing regulatory T cell 国立大学法人京都大学 2022-06-14 CN disclosed
CN-110234648-A Novel compound and method for producing regulatory T cell 国立大学法人京都大学 2019-09-13 CN disclosed
US-9458106-B2 Phenyl-pyridine/pyrazine amides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458106-B2 Phenyl-pyridine/pyrazine amides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
EP-2888232-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2015-07-01 EP disclosed
US-20150158815-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
US-20150158815-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
WO-2014029726-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-02-27 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-20150158815-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER TP53, RB1, HCCS XDH 1992/4885SLC22A12 1361/4885CCNC 127/4885

“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.