SCHEMBL1613692

SCHEMBL1613692

Cc1nn2c(=O)cc(CN3CCCCC3)[nH]c2c1-c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.36
NPY5R Q15761 1/20 0.35
POLB P06746 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
LMNA P02545 1/20 0.35
ADORA2A P29274 2/20 0.35
PABPC1 P11940 1/20 0.34
PDE10A Q9Y233 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDC7 O00311 1/20 0.32

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
SCHEMBL1613688 0.91 PLAT (0.38) PARP1POLBDRD2DRD4DRD3
SCHEMBL1279212 0.85 ADORA2A (0.35) PARP1POLBDRD2ADORA2APABPC1
SCHEMBL1279326 0.83 MEN1 (0.38) PARP1POLBLMNAADORA2APDE10A
SCHEMBL1613652 0.79 PARP1 (0.40) PARP1POLBLMNAPDE10AALDH1A1
SCHEMBL15925796 0.78 HTR2C (0.39) PARP1LMNAPABPC1ALDH1A1KDM4E
SCHEMBL12289711 0.77 ADORA2A (0.42) PARP1NPY5RPOLBLMNAADORA2A
SCHEMBL12289699 0.77 ADORA2A (0.42) PARP1NPY5RPOLBLMNAADORA2A
SCHEMBL1650200 0.77 PLAT (0.36) DRD2LMNAALDH1A1KDM4EMEN1
SCHEMBL1614902 0.77 HPGD (0.35) POLBLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL12289659 0.76 ADORA2A (0.43) PARP1POLBLMNAADORA2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 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-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof KCNJ2, KCNQ5, KCNJ11 PARP1 640/4885NPY5R 442/4885POLB 2845/4885

“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.