SCHEMBL15569253

SCHEMBL15569253

Cc1ccccc1C(C#N)Nc1cncc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 7/20 0.40
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CSF1R P07333 1/20 0.36
KCNJ11 Q14654 5/20 0.35
GAA P10253 2/20 0.34
SLC22A12 Q96S37 1/20 0.33
CTSL P07711 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTSA P10619 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
SCHEMBL15570331 0.84 SGMS2 (0.40) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL15569636 0.84 SGMS2 (0.40) SGMS2ALDH1A1LMNACYP2C19CSF1R
SCHEMBL15569524 0.78 ALDH1A1 (0.51) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL15569829 0.78 CSF1R (0.45) SGMS2ALDH1A1CSF1RKCNJ11GAA
SCHEMBL15570126 0.77 SGMS2 (0.38) SGMS2ALDH1A1LMNACSF1RGAA
SCHEMBL15569179 0.75 CYP11B1 (0.39) SGMS2KCNJ11SLC22A12
SCHEMBL15569254 0.75 SGMS2 (0.49) SGMS2ALDH1A1LMNAGAAKDM4E
SCHEMBL15569256 0.74 SGMS2 (0.48) SGMS2ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL15570209 0.74 CSF1R (0.42) ALDH1A1LMNACSF1RGAAKDM4E
SCHEMBL410971 0.73 SGMS2 (0.43) SGMS2ALDH1A1LMNACYP1A2CYP2C9

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 2503/4885ALDH1A1 401/4885LMNA 3461/4885

“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.