SCHEMBL1961901

SCHEMBL1961901

N#Cc1ccc(-c2ccn(-c3cncc(F)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 11/20 0.43
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SLC6A9 P48067 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2B Q13224 1/20 0.37
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
CHEK1 O14757 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL1961279 0.86 ELOVL1 (0.43) ELOVL1SLC6A9KCNH2CYP11B2CYP11B1
SCHEMBL1963305 0.78 CYP11B2 (0.37) ELOVL1PRMT5WDR77SLC6A9KCNH2
SCHEMBL1962427 0.73 FAAH (0.47) ELOVL1SLC6A9KCNH2GRIN2BCYP11B2
SCHEMBL15885116 0.71 CHEK1 (0.56) CHEK1EGLN2MET
SCHEMBL2689928 0.67 ELOVL1 (0.47) ELOVL1CYP11B2
SCHEMBL20241942 0.67 ELOVL1 (0.44) ELOVL1CYP11B2
SCHEMBL2690822 0.67 ELOVL1 (0.46) ELOVL1CYP11B2CYP11B1
SCHEMBL19120755 0.67 ELOVL1 (0.44) ELOVL1CYP11B2
SCHEMBL1962063 0.66 SLC6A9 (0.36) ELOVL1SLC6A9KCNH2CYP11B2CYP11B1
SCHEMBL12496522 0.66 CHEK1 (0.49) CYP11B2CYP11B1CHEK1EGLN2MET

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 6 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
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 ELOVL1 477/4885PRMT5 2018/4885WDR77 2591/4885

“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.