SCHEMBL6913383

SCHEMBL6913383

CC(=O)NC1CCCN(c2ccc(C#N)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.52
MTOR P42345 2/20 0.52
KMT2A Q03164 1/20 0.50
SYK P43405 1/20 0.48
GRM4 Q14833 1/20 0.48
CHRM4 P08173 1/20 0.47
JAK3 P52333 3/20 0.47
BTK Q06187 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
DPP4 P27487 1/20 0.46
SMPD3 Q9NY59 1/20 0.46
RET P07949 2/20 0.46
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
KCNH2 Q12809 2/20 0.45
TIPARP Q7Z3E1 1/20 0.45
PANK3 Q9H999 3/20 0.44
EIF2AK4 Q9P2K8 1/20 0.44

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
SCHEMBL16718874 0.90 GRM4 (0.48) PIK3CAMTORKMT2AGRM4CHRM4
SCHEMBL1345454 0.86 JAK2 (0.55) PIK3CAMTORCHRM4JAK3DPP4
SCHEMBL21522253 0.85 JAK3 (0.66) KMT2ASYKJAK3BTKRET
SCHEMBL26292029 0.84 MAP4K4 (0.61) KMT2AGRM4CHRM4JAK3BTK
SCHEMBL4212961 0.82 DPP4 (0.52) GRM4CHRM4JAK3DPP4JAK2
SCHEMBL5216841 0.82 DPP4 (0.52) GRM4CHRM4JAK3DPP4JAK2
SCHEMBL952010 0.78 JAK3 (0.58) SYKJAK3BTKDPP4RET
SCHEMBL29462081 0.78 RET (0.48) CHRM4JAK3DPP4SMPD3RET
SCHEMBL4008763 0.78 HSD11B1 (0.46) KMT2AGRM4CHRM4DPP4RET
SCHEMBL4151350 0.78 HSD11B1 (0.46) KMT2AGRM4CHRM4DPP4RET

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-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
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
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B PIK3CA 3473/4885MTOR 4044/4885KMT2A 2762/4885

“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.