Sugi Predict

Sugi Predict / Compounds / SCHEMBL1962386

SCHEMBL1962386

SCHEMBL1962386

N#Cc1ncc(-c2nn(-c3cncc(F)c3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.48
▸ KCNH2 Q12809 4/20 0.48
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ELOVL1 Q9BW60 5/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ GRIN1 Q05586 1/20 0.32

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
SCHEMBL1964385 0.89 FAAH (0.49) FAAHKCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL1962427 0.89 FAAH (0.47) FAAHKCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL8004561 0.87 FAAH (0.51) FAAHKCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL1535397 0.80 FAAH (0.64) FAAHKCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL12552087 0.79 FAAH (0.61) FAAHKCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL1961073 0.79 FAAH (0.50) FAAHKCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL1962063 0.77 SLC6A9 (0.36) KCNH2ELOVL1SLC6A9CYP11B1CYP11B2
SCHEMBL1959648 0.74 FAAH (0.50) FAAHKCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL1535284 0.73 FAAH (0.67) FAAHKCNH2CYP1A2CYP2C19ALDH1A1
SCHEMBL1961279 0.73 ELOVL1 (0.43) KCNH2ELOVL1SLC6A9CYP11B1CYP11B2

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
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

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 FAAH 1/4885KCNH2 930/4885CYP1A2 304/4885

“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.