SCHEMBL9930898

SCHEMBL9930898

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
EIF4EBP1 Q13541 1/20 0.34
BRAF P15056 2/20 0.33
ERN1 O75460 1/20 0.33
PRKCI P41743 7/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MAP4K4 O95819 1/20 0.32
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAF1 P04049 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL9930959 0.88 HCAR3 (0.42) LPAR1LPAR2AURKARPS6KB1PRKCI
SCHEMBL9930301 0.83 AURKA (0.35) AURKARPS6KB1BRAFERN1MAPT
SCHEMBL9930605 0.82 SIRT2 (0.45) LPAR1LPAR2AURKARPS6KB1BRAF
SCHEMBL9930627 0.82 EIF4EBP1 (0.35) LPAR1LPAR2AURKARPS6KB1EIF4EBP1
SCHEMBL9930617 0.81 CSNK2A1 (0.39) AURKAALDH1A1MAPTMAPK1KDM4E
SCHEMBL9930221 0.80 HCAR3 (0.40) LPAR2BRAFPRKCIALDH1A1MAPT
SCHEMBL9930438 0.79 JAK2 (0.42) LPAR1LPAR2BRAFPRKCIALDH1A1
SCHEMBL9930988 0.78 AURKA (0.43) AURKARPS6KB1BRAFERN1MAPT
SCHEMBL9930841 0.77 YTHDC1 (0.35) LPAR1LPAR2BRAFALDH1A1MAPT
SCHEMBL15541357 0.77 CSNK2A1 (0.43) PRKCIALDH1A1MAPTMAPK1KDM4E

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 LPAR1 3291/4885LPAR2 3517/4885AURKA 1013/4885

“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.