SCHEMBL9931007

SCHEMBL9931007

CCc1ncnc2c(C(=O)O)csc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
CSF1R P07333 1/20 0.36
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
NOTUM Q6P988 4/20 0.35

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 0.82 TSHR (0.37) CSF1RMAPTRAB9AMAPK1ALDH1A1
SCHEMBL9930640 0.79 PKM (0.38) MAPTRAB9ANOTUMMAPK1ALDH1A1
SCHEMBL12127766 0.78 MAPK1 (0.49) MAPTRAB9AMAPK1ALDH1A1
SCHEMBL2235201 0.78 ALDH1A1 (0.40) MAPTNOTUMMAPK1ALDH1A1TSHR
SCHEMBL9930605 0.78 SIRT2 (0.45) MAPTRAB9ABRAFALDH1A1
SCHEMBL9930221 0.76 HCAR3 (0.40) MAPTBRAFALDH1A1
SCHEMBL1492106 0.76 CSF1R (0.42) CSF1RBRAF
SCHEMBL2235253 0.76 LMNA (0.37) CSF1RMAPTNOTUMDAOBRAF
SCHEMBL9930841 0.75 YTHDC1 (0.35) CSF1RMAPTMAPK1BRAFALDH1A1
SCHEMBL18633737 0.75 ALDH1A1 (0.33) MAPTRAB9ANOTUMMAPK1ALDH1A1

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 GABRP 3312/4885GABRD 3959/4885GABRA1 3435/4885

“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.