SCHEMBL9931387

SCHEMBL9931387

O=C(O)c1csc2c(NN3CCOCC3)ncnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
KMO O15229 1/20 0.36
CDK5 Q00535 5/20 0.35
CDK5R1 Q15078 5/20 0.35
GAA P10253 5/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
PTBP1 P26599 1/20 0.34
PAX8 Q06710 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
PIK3CD O00329 1/20 0.34
BRD4 O60885 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPK1 P28482 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL9931440 0.78 JAK2 (0.46) IRAK4MAPTMAPK1AURKARPS6KB1
SCHEMBL14575035 0.76 RPS6KB1 (0.51) AURKARPS6KB1
SCHEMBL9931348 0.75 MAPT (0.41) IRAK4MAPTMAPK1AURKARPS6KB1
SCHEMBL9930841 0.74 YTHDC1 (0.35) GAAMAPTMAPK1ALDH1A1LMNA
SCHEMBL9931256 0.74 ADORA1 (0.41) MAPT
SCHEMBL2312296 0.73 MAPT (0.48) IRAK4MAPTAURKARPS6KB1
SCHEMBL9930605 0.71 SIRT2 (0.45) MAPTAURKARPS6KB1KDM4EALDH1A1
SCHEMBL9930023 0.71 RAF1 (0.34) IRAK4MAPTMAPK1AURKARPS6KB1
SCHEMBL9930629 0.71 MAPT (0.44) IRAK4MAPTMAPK1RPS6KB1ALDH1A1
SCHEMBL9930746 0.70 DHODH (0.49) GAAMAPK1AURKARPS6KB1MEN1

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 IRAK4 1072/4885KMO 2839/4885CDK5 309/4885

“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.