SCHEMBL7908146

SCHEMBL7908146

N#Cc1cc(C(=O)Nc2ccc(Cl)cn2)nc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.50
BRD4 O60885 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
F10 P00742 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7904775 0.89 GRM5 (0.49) CYP3A4CYP1A2CYP2C9
SCHEMBL7909685 0.82 CYP3A4 (0.59) TMPRSS4BRD4SMN1; SMN2RAB9ANPC1
SCHEMBL13148138 0.81 BRD4 (0.48) BRD4SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL7907195 0.76 NPC1 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL28265311 0.74 RAB9A (0.68) TMPRSS4SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL7904713 0.72 TMPRSS4 (0.55) TMPRSS4SIRT2CYP3A4CYP1A2CYP2C9
SCHEMBL7903362 0.72 GRM5 (0.66) CYP3A4CYP1A2CYP2C9
SCHEMBL3098843 0.72 SYK (0.39) TSHR
SCHEMBL7909702 0.71 RAB9A (0.51) TMPRSS4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7909377 0.70 GRM5 (0.49) CYP3A4CYP1A2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 US 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 TMPRSS4 2550/4885BRD4 798/4885SMN1; SMN2 2966/4885

“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.