SCHEMBL11209168

SCHEMBL11209168

OCc1cccc(-n2cncn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
GRK6 P43250 1/20 0.44
CFTR P13569 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKCI P41743 1/20 0.41
CHRNA7 P36544 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL30640531 1.00 CYP2A6 (0.49) CYP2A6GRK6CFTRCYP11B1CYP11B2
SCHEMBL1020541 0.83 LMNA (0.49) CYP2A6GRK6HCRTR1HCRTR2KDM4E
SCHEMBL9454369 0.83 CYP2A6 (0.49) CYP2A6GRK6HCRTR1HCRTR2KDM4E
SCHEMBL10276671 0.83 CYP2A6 (0.49) CYP2A6GRK6HCRTR1HCRTR2KDM4E
SCHEMBL11926858 0.82 CYP2A6 (0.62) CYP2A6GRK6HCRTR1HCRTR2KDM4E
SCHEMBL5252166 0.81 CYP2A6 (0.46) CYP2A6GRK6HCRTR1HCRTR2KDM4E
SCHEMBL11990207 0.81 CYP1A2 (0.47) CYP2A6GRK6HCRTR1HCRTR2KDM4E
SCHEMBL10154296 0.80 PRMT6 (0.50) CYP2A6GRK6HCRTR1HCRTR2KDM4E
SCHEMBL11989511 0.80 CYP2A6 (0.45) CYP2A6GRK6HCRTR1HCRTR2KDM4E
SCHEMBL11952906 0.80 CYP2A6 (0.45) CYP2A6GRK6HCRTR1HCRTR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117000047-A Oxidation-resistant, antibacterial and high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2023-11-07 CN disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-4409388-A 1,2,4-Triazole derivatives, and their use as antifertility agents GRUPPO LEPETIT S.P.A. (IT) 1983-10-11 US disclosed
US-4370337-A 1,2,4-Triazole derivatives as antifertility agents and pharmaceutical compositions containing them GRUPPO LEPETIT S.P.A. (IT) 1983-01-25 US disclosed
EP-0011129-B1 NEW 1,2,4-TRIAZOLE DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GRUPPO LEPETIT S.P.A. (IT) 1981-11-11 EP disclosed
EP-0011129-A1 New 1,2,4-triazole derivatives, a process for their manufacture and pharmaceutical compositions containing them GRUPPO LEPETIT S.P.A. (IT) 1980-05-28 EP 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 (4 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 CYP2A6 655/4885GRK6 2260/4885CFTR 590/4885
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CYP2A6 546/4885GRK6 2691/4885CFTR 564/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CYP2A6 655/4885GRK6 2260/4885CFTR 590/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CYP2A6 546/4885GRK6 2691/4885CFTR 564/4885

“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.