SCHEMBL1959481

SCHEMBL1959481

N#Cc1ccc(-c2cc[nH]n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
CHEK1 O14757 1/20 0.39
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM1A O60341 1/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RIPK1 Q13546 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
SCHEMBL31172969 0.82 GRM5 (0.54) GRM5KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL995794 0.82 GRM5 (0.54) GRM5KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL1229696 0.76 GAA (0.43) ALDH1A1KDM1AGAARIPK1
SCHEMBL26129630 0.74 IMPDH2 (0.35) KCNH2RIPK1
SCHEMBL9021665 0.72 KDM4E (0.61) GRM5KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL2147848 0.72 SPR (0.36) KDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL27970861 0.72 GRM5 (0.36) GRM5L3MBTL1
SCHEMBL15604653 0.72 MAPT (0.39) GRM5CYP4F2CYP4A11CYP1A2
SCHEMBL1201323 0.71 TRPV4 (0.41) KDM4EALDH1A1L3MBTL1CHEK1
SCHEMBL13986853 0.71 KDM4E (0.59) GRM5KDM4EALDH1A1L3MBTL1HPGD

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 GRM5 496/4885KDM4E 1303/4885ALDH1A1 1185/4885

“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.