SCHEMBL13730875

SCHEMBL13730875

CCc1ccc(C2CC(C)n3ncc(C(=O)O)c3N2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 2/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL13730877 1.00 CASR (0.55) CASRALDH1A1KDM4EATMGAA
SCHEMBL13730873 1.00 CASR (0.55) CASRALDH1A1KDM4EATMGAA
SCHEMBL3986106 0.87 CASR (0.69) CASRALDH1A1KDM4EATMGAA
SCHEMBL13731638 0.86 ALDH1A1 (0.62) CASRALDH1A1KDM4EATMGAA
SCHEMBL13730563 0.86 ALDH1A1 (0.52) CASRALDH1A1KDM4EATMGAA
SCHEMBL13731640 0.86 ALDH1A1 (0.62) CASRALDH1A1KDM4EATMGAA
SCHEMBL13731644 0.86 ALDH1A1 (0.62) CASRALDH1A1KDM4EATMGAA
SCHEMBL13730561 0.86 ALDH1A1 (0.52) CASRALDH1A1KDM4EATMGAA
SCHEMBL13730566 0.86 ALDH1A1 (0.52) CASRALDH1A1KDM4EATMGAA
SCHEMBL13730348 0.85 ALDH1A1 (0.53) CASRALDH1A1KDM4EATMGAA

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-2699577-A1 TETRAHYDROPYRAZOLO [1,5 -A]PYRIMIDINE AS ANTI -TUBERCULOSIS COMPOUNDS Glaxo Group Limited (GB) 2014-02-26 EP disclosed
US-20140038989-A1 TETRAHYDROPYRAZOLO [1,5-A] PYRIMIDINE AS ANTI-TUBERCULOSIS COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-02-06 US disclosed
WO-2012143522-A1 TETRAHYDROPYRAZOLO [1,5 -A] PYRIMIDINE AS ANTI -TUBERCULOSIS COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-10-26 WO 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-20140038989-A1 TETRAHYDROPYRAZOLO [1,5-A] PYRIMIDINE AS ANTI-TUBERCULOSIS COMPOUNDS TBL3, NDUFV3, NME2 CASR 4528/4885ALDH1A1 1939/4885KDM4E 1762/4885

“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.