SCHEMBL15570331

SCHEMBL15570331

N#CC(Nc1cncc(Br)c1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 6/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
KCNJ11 Q14654 3/20 0.34
HDAC4 P56524 1/20 0.33
CSF1R P07333 2/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 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
SCHEMBL15569179 0.86 CYP11B1 (0.39) SGMS2CYP11B1CYP11B2SLC22A12KCNJ11
SCHEMBL15569253 0.84 SGMS2 (0.40) SGMS2SLC22A12ALDH1A1LMNAKCNJ11
SCHEMBL15569636 0.84 SGMS2 (0.40) SGMS2SLC22A12ALDH1A1LMNAKCNJ11
SCHEMBL15570126 0.77 SGMS2 (0.38) SGMS2SLC22A12ALDH1A1LMNAHDAC4
SCHEMBL15569627 0.74 HDAC4 (0.41) SLC22A12HDAC4CSF1RMAPTGAA
SCHEMBL15569622 0.73 KCNJ11 (0.39) SGMS2ALDH1A1KCNJ11CSF1RGAA
SCHEMBL15569524 0.73 ALDH1A1 (0.51) SGMS2ALDH1A1LMNAKCNJ11CSF1R
SCHEMBL15569620 0.73 KCNJ11 (0.40) SGMS2ALDH1A1KCNJ11CSF1RCYP1A2
SCHEMBL15569829 0.73 CSF1R (0.45) SGMS2ALDH1A1KCNJ11CSF1RMAPKAPK2
SCHEMBL15569998 0.71 CYP2A6 (0.42) ALDH1A1KCNJ11CSF1RGAA

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 SGMS2 2503/4885CYP11B1 1306/4885CYP11B2 1325/4885

“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.