SCHEMBL9931348

SCHEMBL9931348

O=C(O)c1csc2c(NC3COC3)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
ERN1 O75460 3/20 0.37
BRAF P15056 3/20 0.37
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
BTK Q06187 2/20 0.33
RPS6KB1 P23443 2/20 0.33
AURKA O14965 1/20 0.33
MAPK1 P28482 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HCAR3 P49019 1/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
CHRM4 P08173 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9931256 0.90 ADORA1 (0.41) MAPTERN1BRAFJAK2JAK1
SCHEMBL2312296 0.88 MAPT (0.48) MAPTERN1BRAFBTKRPS6KB1
SCHEMBL9931440 0.88 JAK2 (0.46) MAPTERN1BRAFJAK2JAK1
SCHEMBL9930629 0.82 MAPT (0.44) MAPTERN1BRAFRPS6KB1MAPK1
SCHEMBL9931092 0.82 RPS6KB1 (0.51) MAPTERN1BRAFRPS6KB1AURKA
SCHEMBL9930225 0.82 CHRM4 (0.43) MAPTERN1BRAFRPS6KB1AURKA
SCHEMBL9931421 0.81 MAPT (0.43) MAPTERN1BRAFRPS6KB1AURKA
SCHEMBL9930841 0.76 YTHDC1 (0.35) MAPTBRAFMAPK1ALDH1A1HCAR3
SCHEMBL9931387 0.75 IRAK4 (0.37) MAPTRPS6KB1AURKAMAPK1ALDH1A1
SCHEMBL9930988 0.74 AURKA (0.43) MAPTERN1BRAFJAK2JAK1

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-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 (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-20120157439-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 1082/4885ERN1 185/4885BRAF 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.