SCHEMBL9930627

SCHEMBL9930627

O=C(O)c1csc2c(NCC(F)(F)F)ncnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4EBP1 Q13541 2/20 0.35
AURKA O14965 8/20 0.33
RPS6KB1 P23443 8/20 0.33
AURKB Q96GD4 4/20 0.33
GRM1 Q13255 1/20 0.33
ERN1 O75460 1/20 0.33
BRAF P15056 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
PAK4 O96013 1/20 0.32
MAPK8 P45983 1/20 0.32
TYRO3 Q06418 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
ULK1 O75385 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 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
SCHEMBL9930438 0.87 JAK2 (0.42) BRAFSIRT2MAPK8MAPTLPAR1
SCHEMBL9930301 0.83 AURKA (0.35) AURKARPS6KB1AURKBERN1BRAF
SCHEMBL9930605 0.82 SIRT2 (0.45) AURKARPS6KB1BRAFSIRT2MAPT
SCHEMBL9930898 0.82 LPAR1 (0.35) EIF4EBP1AURKARPS6KB1ERN1BRAF
SCHEMBL9930617 0.81 CSNK2A1 (0.39) AURKAMAPTL3MBTL1
SCHEMBL9930221 0.80 HCAR3 (0.40) BRAFSIRT2MAPTL3MBTL1LPAR2
SCHEMBL9930959 0.80 HCAR3 (0.42) AURKARPS6KB1MAPTLPAR1LPAR2
SCHEMBL9930988 0.78 AURKA (0.43) AURKARPS6KB1GRM1ERN1BRAF
SCHEMBL9930841 0.77 YTHDC1 (0.35) BRAFMAPTLPAR1LPAR2
SCHEMBL9931108 0.77 HCAR3 (0.43) AURKARPS6KB1CLK4

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 EIF4EBP1 787/4885AURKA 1013/4885RPS6KB1 315/4885

“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.