SCHEMBL15569890

SCHEMBL15569890

NC(=O)C(Nc1cncc(Br)c1)c1cc(F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
KCNJ11 Q14654 2/20 0.36
HDAC4 P56524 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CSF1R P07333 1/20 0.35
MDM2 Q00987 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALPL P05186 1/20 0.32
SYK P43405 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
SCHEMBL15569627 0.86 HDAC4 (0.41) HDAC4CSF1RKDM4EROCK2GAA
SCHEMBL15570022 0.81 MAPT (0.42) MDM2
SCHEMBL15569693 0.79 ROCK2 (0.40) HDAC4CSF1RKDM4EROCK2ALDH1A1
SCHEMBL15570209 0.77 CSF1R (0.42) HDAC4CSF1RKDM4EROCK2ALDH1A1
SCHEMBL15569879 0.76 EGFR (0.41) EGFRKCNJ11CSF1RMDM2KDM4E
SCHEMBL15798219 0.76 SYK (0.51) EGFRHDAC4CSF1RALDH1A1HTT
SCHEMBL15569787 0.76 SYK (0.51) EGFRHDAC4CSF1RALDH1A1HTT
SCHEMBL15569179 0.75 CYP11B1 (0.39) EGFRKCNJ11CES2CES1
SCHEMBL15569149 0.73 SYK (0.47) EGFRKCNJ11CSF1RKDM4EROCK2
SCHEMBL15569778 0.73 SYK (0.48) KCNJ11CSF1RROCK2ROCK1MEN1

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 EGFR 73/4885KCNJ11 2883/4885HDAC4 71/4885

“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.