Sugi Predict

Sugi Predict / Compounds / SCHEMBL1961073

SCHEMBL1961073

SCHEMBL1961073

NC(=O)c1ccc(-c2nn(-c3cncc(F)c3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.50
▸ KCNH2 Q12809 3/20 0.48
▸ ICAM1 P05362 1/20 0.40
▸ SELE P16581 1/20 0.40
▸ ELOVL1 Q9BW60 2/20 0.39
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MAP4K4 O95819 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ NTRK1 P04629 2/20 0.34

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
SCHEMBL8002415 0.91 FAAH (0.42) FAAHKCNH2ICAM1SELEELOVL1
SCHEMBL12552087 0.82 FAAH (0.61) FAAHKCNH2ELOVL1CA12CA1
SCHEMBL8004561 0.82 FAAH (0.51) FAAHKCNH2ICAM1SELEELOVL1
SCHEMBL1962427 0.81 FAAH (0.47) FAAHKCNH2ELOVL1ALDH1A1CYP1A2
SCHEMBL1961326 0.80 ICAM1 (0.41) FAAHKCNH2ICAM1SELEELOVL1
SCHEMBL1964025 0.80 FAAH (0.51) FAAHKCNH2ICAM1SELEELOVL1
SCHEMBL1962386 0.79 FAAH (0.48) FAAHKCNH2ELOVL1ALDH1A1CYP1A2
SCHEMBL1961329 0.79 FAAH (0.49) FAAHKCNH2ICAM1SELEELOVL1
SCHEMBL1535397 0.79 FAAH (0.64) FAAHKCNH2ELOVL1ALDH1A1CYP1A2
SCHEMBL12551943 0.78 FAAH (0.54) FAAHKCNH2ICAM1SELEELOVL1

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 930/4885ICAM1 2338/4885

“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.