SCHEMBL9930301

SCHEMBL9930301

O=C(O)c1csc2c(NCCF)ncnc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.35
RPS6KB1 P23443 11/20 0.35
AURKB Q96GD4 3/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRAF P15056 3/20 0.33
ERN1 O75460 2/20 0.33
RAF1 P04049 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL9930617 0.88 CSNK2A1 (0.39) AURKAKDM4EKMT2ACYP2C9L3MBTL1
SCHEMBL9930221 0.86 HCAR3 (0.40) KDM4EMEN1KMT2ABRAFRAF1
SCHEMBL9930605 0.83 SIRT2 (0.45) AURKARPS6KB1KDM4EBRAFMAPT
SCHEMBL15541357 0.83 CSNK2A1 (0.43) KDM4EMEN1KMT2ACYP2C9L3MBTL1
SCHEMBL9931108 0.83 HCAR3 (0.43) AURKARPS6KB1KDM4EKMT2A
SCHEMBL9930627 0.83 EIF4EBP1 (0.35) AURKARPS6KB1AURKBBRAFERN1
SCHEMBL9930898 0.83 LPAR1 (0.35) AURKARPS6KB1KDM4EBRAFERN1
SCHEMBL9930959 0.81 HCAR3 (0.42) AURKARPS6KB1MEN1KMT2AMAPT
SCHEMBL9930438 0.80 JAK2 (0.42) BRAFRAF1MAPT
SCHEMBL9930988 0.79 AURKA (0.43) AURKARPS6KB1KDM4EBRAFERN1

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 AURKA 1013/4885RPS6KB1 315/4885AURKB 937/4885

“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.