SCHEMBL17595331

SCHEMBL17595331

COCc1nn(-c2ccccc2)nc1C(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
MAPT P10636 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.50
ADORA2A P29274 5/20 0.48
MAOB P27338 4/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
NPY1R P25929 1/20 0.46
RECQL P46063 1/20 0.46
NPY2R P49146 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA2B P29275 2/20 0.46
ADORA1 P30542 2/20 0.46
LMNA P02545 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PKM P14618 1/20 0.46
KAT2B Q92831 1/20 0.46

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
SCHEMBL17595399 0.88 MAPT (0.68) KDM4EMAPTSMN1; SMN2GAATP53
SCHEMBL594751 0.88 ALDH1A1 (0.57) KDM4EMAPTSMN1; SMN2ADORA2AMAOB
SCHEMBL6314250 0.85 KDM4E (0.81) KDM4EMAPTSMN1; SMN2ADORA2AMAOB
SCHEMBL6313819 0.80 KDM4E (0.74) KDM4EMAPTSMN1; SMN2ADORA2AMAOB
SCHEMBL6312721 0.79 KDM4E (0.72) KDM4EMAPTADORA2AMAOBGAA
SCHEMBL7141368 0.75 NPC1 (0.57) KDM4EMAPTADORA2AMAOBGAA
SCHEMBL6320799 0.75 KDM4E (0.67) KDM4EMAPTSMN1; SMN2ADORA2AMAOB
SCHEMBL24701303 0.75 CYP3A4 (0.48) KDM4EMAPTSMN1; SMN2ADORA2AMAOB
SCHEMBL717852 0.74 MAPT (0.64) KDM4EMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL30707676 0.73 FGFR1 (0.49) KDM4EMAPTSMN1; SMN2GAAALDH1A1

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
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 KDM4E 1797/4885MAPT 4659/4885SMN1; SMN2 4524/4885

“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.