SCHEMBL3704757

SCHEMBL3704757

Cc1noc(C)c1-c1cnc2[nH]cc(C(=O)c3c(F)ccc(N)c3F)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.62
CYP2C19 P33261 5/20 0.51
BRAF P15056 5/20 0.49
CYP3A4 P08684 2/20 0.46
RIPK2 O43353 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
KRAS P01116 1/20 0.46
RAF1 P04049 1/20 0.46
PGR P06401 1/20 0.46
RET P07949 1/20 0.46
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ARAF P10398 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
FECH P22830 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
TGFBR2 P37173 1/20 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
SCHEMBL3704755 0.90 BRD4 (0.61) BRD4CYP2C19BRAFCYP3A4RIPK2
SCHEMBL3699563 0.89 BRD4 (0.50) BRD4CYP2C19BRAFCYP3A4RIPK2
SCHEMBL299748 0.84 CYP2C19 (0.66) CYP2C19BRAFCYP3A4RIPK2ABCB11
SCHEMBL3699828 0.83 CYP2C19 (0.50) CYP2C19BRAFCYP3A4RIPK2ABCB11
SCHEMBL300013 0.82 CYP2C19 (0.59) CYP2C19BRAFCYP3A4RIPK2ABCB11
SCHEMBL299422 0.82 CYP2C19 (0.76) CYP2C19BRAFCYP3A4RIPK2ABCB11
SCHEMBL2891575 0.82 CYP2C19 (0.68) CYP2C19BRAFCYP3A4RIPK2ABCB11
SCHEMBL293715 0.81 BRAF (0.64) CYP2C19BRAFCYP3A4RIPK2ABCB11
SCHEMBL2355506 0.81 BRAF (0.52) CYP2C19BRAFCYP3A4RIPK2ABCB11
SCHEMBL13505282 0.81 CYP2C19 (0.55) CYP2C19BRAFCYP3A4RIPK2ABCB11

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 BRD4 2367/4885CYP2C19 2730/4885BRAF 1/4885

“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.