SCHEMBL1959210

SCHEMBL1959210

N#Cc1ccc(-c2n[nH]cc2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.57
MAOB P27338 5/20 0.57
ERBB2 P04626 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
HPGD P15428 3/20 0.40
CYP2C19 P33261 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 2/20 0.40
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
NOTUM Q6P988 1/20 0.35
MYC P01106 1/20 0.35

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
SCHEMBL1964004 0.81 MAPK13 (0.43) ERBB2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1959437 0.81 NPSR1 (0.43) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL12581494 0.79 NPSR1 (0.36) ERBB2MEN1KMT2AHPGDMAPT
SCHEMBL1960973 0.78 MEN1 (0.48) MAOAMAOBERBB2MEN1KMT2A
SCHEMBL1962700 0.76 FAAH (0.35) ERBB2MEN1KMT2AHPGDMAPT
SCHEMBL1961183 0.76 FAAH (0.55)
SCHEMBL5788515 0.75 MAOB (1.00) MAOAMAOBMEN1KMT2ACYP1A2
SCHEMBL22004673 0.72 ERBB2 (0.53) MAOAMAOBERBB2MEN1KMT2A
SCHEMBL1960099 0.72 CYP2A6 (0.43) MAPTKDM4ERXFP1HAO1
SCHEMBL1535171 0.72 MAOA (0.49) MAOAMAOBERBB2CYP1A2CYP3A4

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 6 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
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 MAOA 79/4885MAOB 99/4885ERBB2 4202/4885

“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.