SCHEMBL279952

SCHEMBL279952

CC(C)c1cnc(C(N)=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.36
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GSK3B P49841 2/20 0.33
PDPK1 O15530 1/20 0.33
SCN9A Q15858 1/20 0.33
DGAT1 O75907 1/20 0.33
NNMT P40261 5/20 0.32
NOS2 P35228 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
KDM1A O60341 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31
PARP1 P09874 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30

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
SCHEMBL30889539 0.82 HCAR3 (0.43) HCAR3HCAR2DGAT1KDM1A
SCHEMBL18410438 0.82 LMNA (0.32) CDC7GSK3BPDPK1SCN9ANOS2
SCHEMBL279674 0.74
SCHEMBL8308592 0.71 MAP2K1 (0.38) GSK3BPDPK1SCN9ANNMTSIRT6
SCHEMBL27938032 0.71
SCHEMBL2233666 0.71
SCHEMBL31118060 0.69 ALDH1A1 (0.43) GSK3BPDPK1SCN9ANNMT
SCHEMBL7500475 0.69
SCHEMBL30190024 0.68 PIN1 (0.47) HCAR2GSK3BPDPK1SCN9ANNMT
SCHEMBL14012126 0.67 KDM1A (0.33) HCAR3HCAR2DGAT1KDM1A

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-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 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-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 CDC7 3416/4885HCAR3 888/4885HCAR2 704/4885

“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.