SCHEMBL14014123

SCHEMBL14014123

COC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.79
ALDH1A1 P00352 8/20 0.79
HPGD P15428 6/20 0.79
HSD17B10 Q99714 2/20 0.79
TP53 P04637 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.72
MAPT P10636 4/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
LMNA P02545 3/20 0.64
HTT P42858 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPK1 P28482 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL4214025 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL14014138 0.87 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL4206371 0.86 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL4491712 0.86 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL14014249 0.84 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL14014259 0.83 KDM4E (0.94) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL25974001 0.83 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL4207359 0.82 TP53 (0.84) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL25339568 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL14014086 0.81 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N KDM4E 4210/4885ALDH1A1 1188/4885HPGD 92/4885

“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.