SCHEMBL7992272

SCHEMBL7992272

COC(=O)c1ccc2nc(-c3cc[nH]n3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
ALOX15 P16050 2/20 0.51
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LCK P06239 1/20 0.43
PTPN11 Q06124 1/20 0.42
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDE4B Q07343 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL26613609 0.78 ALOX15 (0.57) HTTALOX15ALDH1A1CYP19A1CYP11B1
SCHEMBL29437732 0.78 ALOX15 (0.57) HTTALOX15ALDH1A1CYP19A1CYP11B1
SCHEMBL1963166 0.76 HTT (0.52) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL30718816 0.75 HTT (0.60) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL4540728 0.75 HTT (0.60) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL17203103 0.75 HTT (0.60) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL6480600 0.75 CHEK1 (0.43) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL23535667 0.74 HTT (0.59) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL16289439 0.74 HTT (0.59) HTTALOX15KDM4EALDH1A1LMNA
SCHEMBL31413386 0.74 HTT (0.59) HTTALOX15KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299824-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2013-06-19 EP disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US disclosed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 HTT 872/4885ALOX15 15/4885KDM4E 1303/4885

“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.