SCHEMBL1963166

SCHEMBL1963166

COC(=O)c1ccc2nc(-c3ccn[nH]3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALOX15 P16050 1/20 0.52
JMJD6 Q6NYC1 1/20 0.46
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4B Q07343 1/20 0.41
LCK P06239 1/20 0.41
HPGDS O60760 3/20 0.41
PTPN11 Q06124 1/20 0.40
PIK3CA P42336 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
SCHEMBL7992272 0.76 HTT (0.51) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL26613609 0.76 ALOX15 (0.57) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL29437732 0.76 ALOX15 (0.57) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL6478908 0.75 RET (0.48) HTTALOX15JMJD6RAB9AKDM4E
SCHEMBL17203103 0.73 HTT (0.60) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL4540728 0.73 HTT (0.60) HTTALOX15NPC1RAB9AKDM4E
SCHEMBL30718816 0.73 HTT (0.60) HTTALOX15NPC1RAB9ASMN1; SMN2
SCHEMBL5323697 0.73 SCN4A (0.57) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL15556446 0.73 JMJD6 (0.47) HTTALOX15JMJD6ALDH1A1LMNA
SCHEMBL23535667 0.72 HTT (0.59) HTTALOX15NPC1RAB9ASMN1; SMN2

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 5 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
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 15/4885JMJD6 1067/4885

“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.