SCHEMBL15569622

SCHEMBL15569622

N#CC(Nc1cncc(Br)c1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 3/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.36
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
EGFR P00533 1/20 0.35
CSF1R P07333 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15569524 0.86 ALDH1A1 (0.51) KCNJ11ALDH1A1GAAKDM4ES1PR1
SCHEMBL15569620 0.85 KCNJ11 (0.40) KCNJ11ALDH1A1GAAKDM4ECSF1R
SCHEMBL28305748 0.79 ALDH1A1 (0.53) ALDH1A1GAAKDM4ESGMS2
SCHEMBL2521895 0.79 ALDH1A1 (0.53) ALDH1A1GAAKDM4ESGMS2
SCHEMBL15569636 0.78 SGMS2 (0.40) KCNJ11ALDH1A1KDM4ECSF1RSGMS2
SCHEMBL15569998 0.78 CYP2A6 (0.42) KCNJ11ALDH1A1GAAKDM4ECSF1R
SCHEMBL15569829 0.77 CSF1R (0.45) KCNJ11ALDH1A1GAAKDM4ECSF1R
SCHEMBL15570279 0.75 ALDH1A1 (0.46) ALDH1A1GAAKDM4ECSF1RSGMS2
SCHEMBL15570126 0.74 SGMS2 (0.38) ALDH1A1GAAKDM4EEGFRCSF1R
SCHEMBL15569879 0.73 EGFR (0.41) KCNJ11KDM4ES1PR1S1PR3EGFR

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 2883/4885ALDH1A1 401/4885GAA 3614/4885

“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.