SCHEMBL8362974

SCHEMBL8362974

CC(C)(C)OC(=O)Nc1ccc(CCN)cn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
NAMPT P43490 2/20 0.48
GRIN2B Q13224 1/20 0.43
CYP17A1 P05093 1/20 0.42
MAPKAPK2 P49137 5/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
SCN9A Q15858 1/20 0.39
BCL2 P10415 1/20 0.38
TSHR P16473 1/20 0.38
ATR Q13535 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DEGS1 O15121 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL29523504 0.89 HDAC1 (0.52) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL164105 0.89 HDAC1 (0.52) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL27947682 0.88 NAMPT (0.48) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL16296315 0.86 NAMPT (0.48) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL13188545 0.85 NAMPT (0.47) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL19669455 0.85 NAMPT (0.47) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL30684531 0.85 P4HTM (0.48) HDAC1NAMPTGRIN2BCYP17A1GSK3B
SCHEMBL30684527 0.85 P4HTM (0.48) HDAC1NAMPTGRIN2BCYP17A1GSK3B
SCHEMBL15354526 0.85 NAMPT (0.50) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2
SCHEMBL540536 0.85 NAMPT (0.50) HDAC1NAMPTGRIN2BCYP17A1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-7465736-B2 Azole methylidene cyanide derivatives and their use as protein kinase modulators LABORATOIRES SERONO S.A. (CH) 2008-12-16 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
US-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators MERCK SERONO SA (CH) 2007-05-31 US disclosed
WO-2003106455-A1 AZOLE METHYLIDENE CYANIDE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-12-24 WO 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-20070123530-A1 Azole methylidene cyanide derivatives and their use as protein kinase modulators PRKACA, CSNK1A1, PRKACG HDAC1 1868/4885NAMPT 834/4885GRIN2B 3436/4885

“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.