SCHEMBL7910092

SCHEMBL7910092

Cc1cc(C#N)c(C)c(C(=O)Nc2ccc(Cl)cn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 3/20 0.50
TSHR P16473 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 2/20 0.49
NPC1 O15118 5/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
PTK2 Q05397 1/20 0.47
GRM5 P41594 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 2/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
KMT2A Q03164 5/20 0.46

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
SCHEMBL7910099 0.88 RAB9A (0.48) RAB9ASMN1; SMN2TP53NFKB1NFKB2
SCHEMBL7910093 0.87 TMPRSS4 (0.49) GRM5TMPRSS4KMT2AMEN1
SCHEMBL7910087 0.86 GRM5 (0.53) CYP3A4CYP2C9CYP1A2GRM5
SCHEMBL7900421 0.80 GRM5 (0.48) GRM5
SCHEMBL13148109 0.79 RAB9A (0.50) RAB9ASMN1; SMN2TP53TSHRNFKB1
SCHEMBL7909685 0.79 CYP3A4 (0.59) RAB9ASMN1; SMN2TP53TSHRNFKB1
SCHEMBL3793552 0.75 GRM5 (0.58) RAB9ASMN1; SMN2NPC1HTTGRM5
SCHEMBL7898446 0.75 CYP3A4 (0.67) RAB9ASMN1; SMN2TP53TSHRNFKB1
SCHEMBL4272301 0.74 GRM5 (0.61) RAB9ASMN1; SMN2TP53TSHRNFKB1
SCHEMBL13148116 0.72 TMPRSS4 (0.46) GRM5TMPRSS4KMT2AMEN1

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 RAB9A 2626/4885SMN1; SMN2 2966/4885TP53 4513/4885

“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.