SCHEMBL3712697

SCHEMBL3712697

Nc1ncc(-c2nnn(CC(=O)O)n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.48
SCD O00767 4/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3715973 0.84 MEN1 (0.56) MEN1KMT2ARECQLHPGDSCD
SCHEMBL10111873 0.80 MAPT (0.61) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL15653450 0.79 MEN1 (0.65) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL4024534 0.77 HPGD (0.76) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL17686526 0.76 ALDH1A1 (0.47) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL16496668 0.76 MEN1 (0.53) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL806074 0.75 RECQL (0.66) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL3892207 0.74 MEN1 (0.46) MEN1KMT2ARECQLHPGDSCD
SCHEMBL18131039 0.74 MEN1 (0.62) MEN1KMT2ARECQLHPGDALDH1A1
SCHEMBL17504554 0.73 MEN1 (0.65) MEN1KMT2AHPGDALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398796-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-12-28 EP disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
WO-2010108268-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-09-30 WO disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 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-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY MEN1 4582/4885KMT2A 3000/4885RECQL 2871/4885

“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.