SCHEMBL12510331

SCHEMBL12510331

Cc1nnc2ccc(Cl)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
MAP3K14 Q99558 1/20 0.39
MEN1 O00255 1/20 0.37
TRPA1 O75762 1/20 0.36
NPC1 O15118 3/20 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
SCHEMBL11159022 0.85 SLC6A2 (0.53) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL27455823 0.75 PIM1 (0.55) POLBALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL254009 0.75 GAA (0.44) ALDH1A1KMT2AHSD17B10GAAMAP3K14
SCHEMBL12510429 0.75 SCN5A (0.42) KDM4EMAPK14
SCHEMBL16686865 0.75 PIM1 (0.38) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL20160365 0.75 SMN1; SMN2 (0.35) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL11914746 0.75 MAPK14 (0.58) MAPK14
SCHEMBL13687351 0.75 POLB (0.46) POLBALDH1A1KDM4EGAAPIK3CD
SCHEMBL21305149 0.75 SCN5A (0.46) POLBALDH1A1KMT2AGAAMEN1
SCHEMBL11168654 0.75 MAPK14 (0.52) SLC6A2SLC6A4SLC6A3KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570414-B1 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 US disclosed
US-7977353-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-12 US disclosed
US-7910601-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 US disclosed
US-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 US disclosed
US-7589102-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 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 (2 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-20100016233-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R CCNC 1094/4885CDK8 2281/4885SLC6A2 4131/4885
US-20100305114-A1 Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues GHSR, GHRHR, NPY1R CCNC 1094/4885CDK8 2281/4885SLC6A2 4131/4885

“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.