SCHEMBL15569620

SCHEMBL15569620

N#CC(Nc1cncc(Br)c1)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 4/20 0.40
CSF1R P07333 2/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
SGMS2 Q8NHU3 1/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL15569622 0.85 KCNJ11 (0.39) KCNJ11CSF1RSGMS2GAAKDM4E
SCHEMBL15569829 0.85 CSF1R (0.45) KCNJ11CSF1RSGMS2GAAKDM4E
SCHEMBL15570279 0.81 ALDH1A1 (0.46) CSF1RSGMS2GAAKDM4EALDH1A1
SCHEMBL15569636 0.78 SGMS2 (0.40) KCNJ11CSF1RSGMS2KDM4EALDH1A1
SCHEMBL15569524 0.77 ALDH1A1 (0.51) KCNJ11CSF1RSGMS2GAAKDM4E
SCHEMBL15569998 0.75 CYP2A6 (0.42) KCNJ11CSF1RGAAKDM4EALDH1A1
SCHEMBL15569778 0.75 SYK (0.48) KCNJ11CSF1RIDO1TDO2MEN1
SCHEMBL15570126 0.74 SGMS2 (0.38) CSF1RSGMS2GAAKDM4EALDH1A1
SCHEMBL15569253 0.73 SGMS2 (0.40) KCNJ11CSF1RSGMS2GAAKDM4E
SCHEMBL15570331 0.73 SGMS2 (0.40) KCNJ11CSF1RSGMS2GAAALDH1A1

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-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 KCNJ11 2883/4885CSF1R 862/4885IDO1 1511/4885

“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.