SCHEMBL9930607

SCHEMBL9930607

CCOC(=O)c1sc(C)c2c(NCc3ccc(OC)cc3OC)ncnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
LMNA P02545 6/20 0.46
CYP1A2 P05177 11/20 0.46
CYP3A4 P08684 11/20 0.46
CYP2C19 P33261 11/20 0.46
CYP2D6 P10635 9/20 0.46
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 6/20 0.46
CLK4 Q9HAZ1 5/20 0.46
MAPK1 P28482 3/20 0.46
SLC26A6 Q9BXS9 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 7/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 6/20 0.45
HIF1A Q16665 2/20 0.44

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
SCHEMBL9930459 0.89 CYP1A2 (0.48) MAPTAURKARPS6KB1LMNACYP1A2
SCHEMBL1460958 0.79 MAPT (0.72) MAPTAURKARPS6KB1LMNACYP1A2
SCHEMBL21174131 0.79 MAPT (0.60) MAPTAURKARPS6KB1LMNACYP1A2
SCHEMBL1460973 0.78 MAPT (0.64) MAPTAURKARPS6KB1LMNACYP1A2
SCHEMBL23283350 0.75 MAPT (0.47) MAPTLMNACYP1A2CYP3A4CYP2C19
SCHEMBL29971212 0.75 MAPT (0.47) MAPTLMNACYP1A2CYP3A4CYP2C19
SCHEMBL9930862 0.75 CYP1A2 (0.55) MAPTAURKARPS6KB1LMNACYP1A2
SCHEMBL9930247 0.74 CYP1A2 (0.50) MAPTAURKARPS6KB1LMNACYP1A2
SCHEMBL24399596 0.74 AURKA (0.56) MAPTAURKARPS6KB1LMNACYP1A2
SCHEMBL24399771 0.73 KDM4C (0.52) MAPTAURKARPS6KB1LMNACYP1A2

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 1082/4885AURKA 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.