SCHEMBL1962075

SCHEMBL1962075

CC(=O)Nc1ccc(-c2nn(-c3ccccc3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.52
KCNH2 Q12809 2/20 0.48
NSD2 O96028 1/20 0.47
AURKA O14965 8/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTK2 Q05397 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1535395 0.92 FAAH (0.45) FAAHKCNH2NSD2AURKAMAPT
SCHEMBL15070809 0.81 FAAH (0.60) FAAHKCNH2AURKAMAPTLMNA
SCHEMBL1535394 0.81 FAAH (0.44) FAAHKCNH2AURKAMAPTLMNA
SCHEMBL1535178 0.81 FAAH (0.59) FAAHKCNH2AURKAMAPTLMNA
SCHEMBL1959991 0.78 LMNA (0.54) AURKAMAPTLMNAKDM4EALDH1A1
SCHEMBL1962085 0.78 MEN1 (0.61) FAAHKCNH2AURKAMAPTLMNA
SCHEMBL1960741 0.78 FAAH (0.56) FAAHKCNH2AURKAMAPTLMNA
SCHEMBL1964814 0.78 MAPT (0.54) FAAHKCNH2AURKAMAPTLMNA
SCHEMBL1535312 0.77 FAAH (0.60) FAAHKCNH2AURKAMAPTKDM4E
SCHEMBL7992233 0.77 FAAH (0.62) FAAHKCNH2AURKAMAPTLMNA

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 7 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 claimed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 US claimed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
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
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 (2 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B FAAH 2501/4885KCNH2 3671/4885NSD2 3523/4885
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HRH2 FAAH 1/4885KCNH2 930/4885NSD2 899/4885

“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.