Sugi Predict

Sugi Predict / Compounds / SCHEMBL1964025

SCHEMBL1964025

SCHEMBL1964025

NNC(=O)c1cnc(-c2nn(-c3cncc(F)c3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ ELOVL1 Q9BW60 6/20 0.39
▸ ICAM1 P05362 2/20 0.36
▸ SELE P16581 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ VCAM1 P19320 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL12551943 0.91 FAAH (0.54) FAAHKCNH2ELOVL1ICAM1SELE
SCHEMBL1959444 0.88 FAAH (0.49) FAAHKCNH2ELOVL1
SCHEMBL1961073 0.80 FAAH (0.50) FAAHKCNH2ELOVL1ICAM1SELE
SCHEMBL1961329 0.79 FAAH (0.49) FAAHKCNH2ELOVL1ICAM1SELE
SCHEMBL15016219 0.78 FAAH (0.68) FAAHKCNH2KDM4EMAPTKMT2A
SCHEMBL1963411 0.78 FAAH (0.49) FAAHKCNH2ELOVL1ICAM1SELE
SCHEMBL12551879 0.77 FAAH (0.70) FAAHKCNH2ALDH1A1MAPTKMT2A
SCHEMBL1535331 0.77 FAAH (0.67) FAAHKCNH2ALDH1A1KDM4EMAPT
SCHEMBL1961136 0.77 FAAH (0.67) FAAHKCNH2KDM4ENPC1MAPT
SCHEMBL1961326 0.77 ICAM1 (0.41) FAAHKCNH2ELOVL1ICAM1SELE

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 930/4885ELOVL1 477/4885

“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.