SCHEMBL1963305

SCHEMBL1963305

N#Cc1ccc(-c2nn(-c3cncc(F)c3)cc2I)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.37
CYP11B1 P15538 3/20 0.37
SLC6A9 P48067 3/20 0.36
KCNH2 Q12809 1/20 0.36
TRPA1 O75762 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ELOVL1 Q9BW60 3/20 0.33
GRIN2B Q13224 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
SCHEMBL1962063 0.85 SLC6A9 (0.36) CYP11B2CYP11B1SLC6A9KCNH2ELOVL1
SCHEMBL1962427 0.79 FAAH (0.47) CYP11B2CYP11B1SLC6A9KCNH2PIK3CD
SCHEMBL1961901 0.78 ELOVL1 (0.43) CYP11B2CYP11B1SLC6A9KCNH2EGLN2
SCHEMBL12004678 0.68 CYP11B2 (0.35) CYP11B2SLC6A9KCNH2ELOVL1
SCHEMBL19120675 0.68 ELOVL1 (0.36) CYP11B2ELOVL1
SCHEMBL1961279 0.66 ELOVL1 (0.43) CYP11B2CYP11B1SLC6A9KCNH2EGLN2
SCHEMBL1962386 0.65 FAAH (0.48) CYP11B2CYP11B1SLC6A9KCNH2ELOVL1
SCHEMBL1962415 0.65 CYP11B2 (0.49) CYP11B2CYP11B1KCNH2MAPK1
SCHEMBL12496522 0.63 CHEK1 (0.49) CYP11B2CYP11B1TRPA1EGLN2MET
SCHEMBL1962612 0.63 FAAH (0.48) KCNH2SRCKDR

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
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
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO 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 CYP11B2 528/4885CYP11B1 465/4885SLC6A9 4875/4885

“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.