SCHEMBL13838009

SCHEMBL13838009

Cc1nc(-c2cccc(C(=O)N3CC(C)N(c4ccc(C#N)cn4)C(C)C3)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
RHOA P61586 1/20 0.44
FASN P49327 5/20 0.44
CHRM1 P11229 1/20 0.43
GRM5 P41594 7/20 0.43
EGLN1 Q9GZT9 2/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL13837954 0.89 RHOA (0.46) PDK1PDK2RHOAFASNCHRM1
SCHEMBL2224359 0.88 PDK1 (0.49) PDK1PDK2FASNCHRM1GRM5
SCHEMBL13838821 0.86 CHRM1 (0.43) PDK1PDK2RHOAFASNCHRM1
SCHEMBL13838115 0.85 FASN (0.49) PDK1PDK2RHOAFASNGRM5
SCHEMBL13838109 0.84 GRM5 (0.46) PDK1PDK2RHOACHRM1GRM5
SCHEMBL13838057 0.83 RHOA (0.46) PDK1PDK2RHOAFASNGRM5
SCHEMBL13838014 0.82 RHOA (0.46) PDK1PDK2RHOAFASNGRM5
SCHEMBL13837979 0.82 CNR2 (0.52) RHOAFASNGRM5
SCHEMBL13838118 0.81 RHOA (0.42) PDK1PDK2RHOAFASNGRM5
SCHEMBL13837888 0.80 GRM5 (0.46) RHOAFASNCHRM1GRM5HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B PDK1 2190/4885PDK2 1280/4885RHOA 2312/4885

“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.