SCHEMBL14974504

SCHEMBL14974504

CCOC(=O)c1cc(N(C)c2cnn(C)c2)n2nccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
POLB P06746 1/20 0.40
PDE4A P27815 1/20 0.39
GAA P10253 1/20 0.38
BCL6 P41182 1/20 0.38
DPP4 P27487 1/20 0.37
RAB9A P51151 5/20 0.36
NPC1 O15118 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPKAPK2 P49137 2/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL14974695 0.85 DPP4 (0.43) KDM4EPOLBPDE4AGAADPP4
SCHEMBL17417427 0.76 PDE4A (0.50) KDM4EPOLBPDE4AGAABCL6
SCHEMBL901809 0.76 GSK3B (0.52) KDM4EPOLBPDE4ABCL6GSK3B
SCHEMBL897271 0.73 PDE4A (0.49) KDM4EPOLBPDE4AGAABCL6
SCHEMBL14974070 0.71 PDE10A (0.41) POLBPDE4ARAB9ANPC1ALDH1A1
SCHEMBL24418627 0.69 CDK9 (0.53) PDE4ABCL6CYP1A2MAPKAPK2GSK3B
SCHEMBL8210632 0.68 PDE4A (0.44) KDM4EPOLBPDE4AGAABCL6
SCHEMBL30520974 0.66 PDE4A (0.52) KDM4EPOLBPDE4ARAB9ANPC1
SCHEMBL913784 0.66 ALDH1A1 (0.42) KDM4EPOLBRAB9ANPC1KMT2A
SCHEMBL13117300 0.65 GSK3B (0.73) KDM4EPDE4AALDH1A1GSK3B

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
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A KDM4E 1478/4885POLB 2468/4885PDE4A 3/4885

“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.