SCHEMBL9932387

SCHEMBL9932387

Cc1sc2ncnc(NC(=O)Nc3c(F)ccc(C(N)=O)c3F)c2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 4/20 0.42
GAA P10253 3/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 5/20 0.41
RAF1 P04049 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
KDR P35968 3/20 0.40
TEK Q02763 2/20 0.40
KIT P10721 1/20 0.40
PIP4K2C Q8TBX8 1/20 0.40
NOTUM Q6P988 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL9932392 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPK1GAACSNK2A2
SCHEMBL9932105 0.81 MAPT (0.54) SMN1; SMN2ALDH1A1MAPK1GAACSNK2A2
SCHEMBL9932473 0.80 BRAF (0.40) MAPTLMNAKDRTEKNOTUM
SCHEMBL9932670 0.78 EGFR (0.42) SMN1; SMN2ALDH1A1MAPK1GAAMAPT
SCHEMBL9967973 0.78 BRAF (0.63) SMN1; SMN2RAF1MEN1KMT2ALMNA
SCHEMBL9932910 0.75 BRAF (0.47) KDR
SCHEMBL9932224 0.75 BRAF (0.65) MAPK1
SCHEMBL9933461 0.73 BRAF (0.59) MAPK1
SCHEMBL9931498 0.73 BRAF (0.46)
SCHEMBL9932544 0.73 BRAF (0.39) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157453-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 (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-20120157453-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF SMN1; SMN2 1991/4885ALDH1A1 1674/4885MAPK1 42/4885

“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.