SCHEMBL1962063

SCHEMBL1962063

N#Cc1ncc(-c2nn(-c3cncc(F)c3)cc2I)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.36
KCNH2 Q12809 1/20 0.36
ELOVL1 Q9BW60 5/20 0.35
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 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
SCHEMBL1963305 0.85 CYP11B2 (0.37) SLC6A9KCNH2ELOVL1CYP11B2CYP11B1
SCHEMBL1962386 0.77 FAAH (0.48) SLC6A9KCNH2ELOVL1CYP11B2CYP11B1
SCHEMBL1961279 0.76 ELOVL1 (0.43) SLC6A9KCNH2ELOVL1CYP11B2CYP11B1
SCHEMBL12004678 0.70 CYP11B2 (0.35) SLC6A9KCNH2ELOVL1CYP11B2
SCHEMBL19120675 0.70 ELOVL1 (0.36) ELOVL1CYP11B2
SCHEMBL1961901 0.66 ELOVL1 (0.43) SLC6A9KCNH2ELOVL1CYP11B2CYP11B1
SCHEMBL1962427 0.64 FAAH (0.47) SLC6A9KCNH2ELOVL1CYP11B2CYP11B1
SCHEMBL1964385 0.64 FAAH (0.49) KCNH2
SCHEMBL19120755 0.64 ELOVL1 (0.44) ELOVL1CYP11B2
SCHEMBL26847571 0.61 ELOVL1 (0.38) SLC6A9KCNH2ELOVL1CYP11B2

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 5 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

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 SLC6A9 4875/4885KCNH2 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.