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Sugi Predict / Compounds / SCHEMBL1535331

SCHEMBL1535331

SCHEMBL1535331

COC(=O)c1cnc(-c2nn(-c3ccc(F)cc3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.67
▸ KCNH2 Q12809 3/20 0.67
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ UBE2N P61088 1/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL12551879 0.90 FAAH (0.70) FAAHKCNH2CA12CA1CA2
SCHEMBL1535356 0.89 FAAH (0.53) FAAHKCNH2CA12CA1CA2
SCHEMBL15016219 0.89 FAAH (0.68) FAAHKCNH2CA12CA1CA2
SCHEMBL1961136 0.87 FAAH (0.67) FAAHKCNH2CA12CA1CA2
SCHEMBL8001300 0.82 FAAH (0.73) FAAHKCNH2KDM4EL3MBTL1MAPT
SCHEMBL1961135 0.81 FAAH (0.67) FAAHKCNH2CA12CA1CA2
SCHEMBL12551892 0.80 FAAH (0.70) FAAHKCNH2L3MBTL1MAPTALDH1A1
SCHEMBL1959250 0.80 FAAH (1.00) FAAHKCNH2CA12CA1CA2
SCHEMBL1964393 0.79 CA12 (0.45) FAAHKCNH2CA12CA1CA2
SCHEMBL12551943 0.79 FAAH (0.54) FAAHKCNH2MAPK1MEN1KMT2A

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 10 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
JP-2011524872-A — — 2011-09-08 — — JP claimed
US-20110144056-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-06-16 — — US claimed
EP-2299824-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck Sharp & Dohme Corp. (US) 2011-03-30 — — EP claimed
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 — — WO 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 930/4885CA12 4761/4885

“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.