SCHEMBL8695867

SCHEMBL8695867

Cc1nccn1-c1cccc(CO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2A6 P11509 1/20 0.54
GRM5 P41594 1/20 0.50
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ICMT O60725 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CFTR P13569 1/20 0.43
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
CDK1 P06493 1/20 0.42
SRC P12931 1/20 0.42
ABL2 P42684 1/20 0.42
CYP11B1 P15538 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
SCHEMBL111365 0.86 CYP3A4 (0.53) CYP3A4CYP2E1CYP2A6GRM5CYP1A2
SCHEMBL11929770 0.84 CYP3A4 (0.67) CYP3A4CYP2E1CYP2A6GRM5CYP1A2
SCHEMBL5321854 0.82 CYP2A6 (0.49) CYP3A4CYP2E1CYP2A6GRM5ICMT
SCHEMBL7802849 0.81 ALDH1A1 (0.56) CYP3A4CYP2E1CYP2A6GRM5CYP1A2
SCHEMBL20834430 0.81 CYP3A4 (0.51) CYP3A4CYP2E1CYP2A6GRM5CYP1A2
SCHEMBL30797803 0.80 CYP3A4 (0.57) CYP3A4CYP2E1CYP2A6GRM5CYP1A2
SCHEMBL16923147 0.80 CYP3A4 (0.57) CYP3A4CYP2E1CYP2A6GRM5CYP1A2
SCHEMBL3507152 0.80 CYP3A4 (0.57) CYP3A4CYP2E1CYP2A6GRM5CYP1A2
SCHEMBL20834215 0.80 CYP3A4 (0.47) CYP3A4CYP2E1CYP2A6GRM5CYP1A2
SCHEMBL17166601 0.80 CYP3A4 (0.61) CYP3A4CYP2E1CYP2A6GRM5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed
EP-0703913-B1 IMIDAZOLES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-06-11 EP disclosed
EP-0703913-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029299-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-12-22 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 (2 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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CYP3A4 225/4885CYP2E1 43/4885CYP2A6 655/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CYP3A4 225/4885CYP2E1 43/4885CYP2A6 655/4885

“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.