SCHEMBL9930872

SCHEMBL9930872

CCS(=O)(=O)Nc1ccc(F)c(C(N)=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.46
BRAF P15056 10/20 0.41
MRGPRX1 Q96LB2 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAP2K1 Q02750 5/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
PIR O00625 1/20 0.39
AURKA O14965 1/20 0.39
DCLK1 O15075 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
STK16 O75716 1/20 0.39
OXSR1 O95747 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
RAF1 P04049 1/20 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
SCHEMBL9930989 0.91 CYP3A4 (0.51) BRAFMAP2K1BMPR1BPLK4PIR
SCHEMBL1437441 0.87 METAP2 (0.48) PSIP1BRAFMRGPRX1MAP2K1BMPR1B
SCHEMBL9931434 0.87 BRAF (0.49) BRAFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9931060 0.85 BRAF (0.49) PSIP1BRAFMAP2K1BMPR1BPLK4
SCHEMBL9930125 0.84 BRAF (0.49) BRAFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9930756 0.83 BRAF (0.46) BRAFKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9930706 0.80 BRAF (0.45) PSIP1BRAFMRGPRX1MAP2K1BMPR1B
SCHEMBL1438194 0.79 PSIP1 (0.51) PSIP1BRAFMRGPRX1HPGDHSD17B10
SCHEMBL913409 0.78 CYP3A4 (0.52) BRAFMAP2K1BMPR1BPLK4PIR
SCHEMBL1492058 0.76 CYP3A4 (0.60) BRAFMAP2K1BMPR1BPLK4PIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US claimed
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2012-06-21 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 (2 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-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PSIP1 2338/4885BRAF 1/4885MRGPRX1 3466/4885
US-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF PSIP1 2338/4885BRAF 1/4885MRGPRX1 3466/4885

“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.