SCHEMBL13731982

SCHEMBL13731982

CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
KDM4E B2RXH2 11/20 0.81
HPGD P15428 11/20 0.81
HSD17B10 Q99714 10/20 0.81
CASP1 P29466 4/20 0.81
TSHR P16473 3/20 0.81
CASP7 P55210 2/20 0.81
ALDH1A1 P00352 11/20 0.67
GAA P10253 2/20 0.67
GLA P06280 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.65
KLK7 P49862 1/20 0.64
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
MAPK1 P28482 2/20 0.57
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL13731467 0.92 MAPT (0.85) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL13731195 0.91 MAPT (0.83) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL13749385 0.90 KDM4E (1.00) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL14014115 0.89 MAPT (0.80) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL13730390 0.84 MAPT (0.72) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL31351804 0.80 KDM4E (0.77) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL31351806 0.80 KDM4E (0.77) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL4203906 0.79 HPGD (0.83) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL14013782 0.78 ALDH1A1 (0.79) MAPTKDM4EHPGDHSD17B10CASP1
SCHEMBL4204293 0.78 KDM4E (1.00) MAPTKDM4EHPGDHSD17B10CASP1

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 MAPT 3921/4885KDM4E 1762/4885HPGD 1218/4885

“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.