SCHEMBL3709345

SCHEMBL3709345

N#Cc1ccnc2[nH]cc(C(=O)c3cccc(C(N)=O)c3F)c12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.52
LRRK2 Q5S007 12/20 0.41
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CDC42BPA Q5VT25 2/20 0.39
CDC42BPB Q9Y5S2 2/20 0.39

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
SCHEMBL3709351 0.90 CYP2C9 (0.51) CYP2C9CYP3A4LRRK2ROCK2ROCK1
SCHEMBL2888193 0.84 CYP3A4 (0.61) CYP2C9CYP3A4LRRK2
SCHEMBL298849 0.79 CYP2C9 (0.55) CYP2C9CYP3A4
SCHEMBL3712294 0.78 PARP1 (0.42) CYP2C9
SCHEMBL298174 0.78 CYP3A4 (0.61) CYP2C9CYP3A4LRRK2
SCHEMBL3509976 0.77 MAP2K1 (0.52) CYP2C9LRRK2ROCK2
SCHEMBL1720729 0.76 CYP2C9 (0.66) CYP2C9CYP3A4
SCHEMBL3712853 0.75 CYP2C9 (0.51) CYP2C9CYP3A4
SCHEMBL25237394 0.75 LRRK2 (0.42) CYP2C9CYP3A4LRRK2ROCK2ROCK1
SCHEMBL3705714 0.75 CYP3A4 (0.51) CYP2C9CYP3A4

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
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP3A4 3611/4885LRRK2 1249/4885

“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.