SCHEMBL13619967

SCHEMBL13619967

CCC(C)(C)NC(=O)c1ncc(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.49
HDAC1 Q13547 5/20 0.49
KDR P35968 1/20 0.48
USP30 Q70CQ3 2/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SCD O00767 1/20 0.44
ACP1 P24666 1/20 0.42
POLB P06746 1/20 0.42
FFAR2 O15552 1/20 0.42
GSTO1 P78417 1/20 0.42
DGAT1 O75907 1/20 0.41

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
SCHEMBL10202148 0.86 ALDH1A1 (0.55) HDAC6HDAC1KDRUSP30ERCC5
SCHEMBL2605695 0.80 HDAC6 (0.60) HDAC6HDAC1KDRUSP30ERCC5
SCHEMBL15074686 0.78 HPGD (0.57) HDAC6HDAC1KDRUSP30ERCC5
SCHEMBL13927796 0.76 ALOX15 (0.56) HDAC6HDAC1KDRUSP30ERCC5
SCHEMBL25139544 0.75 ERCC5 (0.53) HDAC6HDAC1KDRUSP30ERCC5
SCHEMBL21298951 0.75 KDR (0.56) HDAC6HDAC1KDRUSP30ERCC5
SCHEMBL4516395 0.74 POLB (0.71) HDAC6HDAC1NPSR1L3MBTL1POLB
SCHEMBL17871614 0.73 HDAC6 (0.61) HDAC6HDAC1KDRUSP30
SCHEMBL24112826 0.73 KDR (0.53) HDAC6HDAC1KDRUSP30ERCC5
SCHEMBL13437383 0.72 KDR (0.56) HDAC6HDAC1KDRERCC5FEN1

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-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 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-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 HDAC6 3301/4885HDAC1 3154/4885KDR 526/4885

“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.