SCHEMBL10185249

SCHEMBL10185249

CCOC(=O)c1cn2c(NC(C)(C)CC(C)(C)C)c(C)nc2cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
CYP1A2 P05177 2/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GFER P55789 1/20 0.35
GLA P06280 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C19 P33261 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL10185214 0.82 GAA (0.43) GAAAKT1AKT2CYP1A2POLB
SCHEMBL31244495 0.76 GAA (0.51) GAAAKT1AKT2CYP1A2POLB
SCHEMBL10185248 0.76 GAA (0.51) GAAAKT1AKT2CYP1A2POLB
SCHEMBL10185245 0.76 GAA (0.51) GAAAKT1AKT2CYP1A2POLB
SCHEMBL15739861 0.70 AKT1 (0.51) GAAAKT1AKT2CYP1A2MAPT
SCHEMBL15717868 0.69 KDM4E (0.53) GAAAKT1AKT2CYP1A2POLB
SCHEMBL15717521 0.68 GAA (0.50) GAAAKT1AKT2CYP1A2POLB
SCHEMBL10185221 0.67 POLB (0.32) POLBMAPTTP53KDM4E
SCHEMBL4074450 0.67 KDM4E (0.54) GAAAKT1AKT2CYP1A2POLB
SCHEMBL15176026 0.65 KDM4E (0.62) GAACYP1A2POLBMAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF GAA 1958/4885AKT1 11/4885AKT2 32/4885

“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.