SCHEMBL9930522

SCHEMBL9930522

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15542445 0.78 TSHR (0.37) TSHRMAPTKDM4EMEN1HSP90AA1
SCHEMBL30845424 0.76 ASPH (0.35) TSHRMAPTKDM4EHPGD
SCHEMBL9930640 0.76 PKM (0.38) TSHRMAPTKDM4EHPGDKMT2A
SCHEMBL2235253 0.76 LMNA (0.37) DAOTSHRMAPTALDH1A1
SCHEMBL1492106 0.76 CSF1R (0.42)
SCHEMBL9930898 0.75 LPAR1 (0.35) MAPTKDM4EALDH1A1
SCHEMBL9930841 0.72 YTHDC1 (0.35) TSHRMAPTALDH1A1
SCHEMBL18633737 0.72 ALDH1A1 (0.33) TSHRMAPTKDM4EALDH1A1
SCHEMBL9931007 0.72 GABRP (0.37) DAOTSHRMAPTALDH1A1
SCHEMBL2235201 0.72 ALDH1A1 (0.40) TSHRMAPTALDH1A1

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 DAO 2437/4885TSHR 2668/4885MAPT 1082/4885

“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.