SCHEMBL17596372

SCHEMBL17596372

OCc1cccc2c1ncn2Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.55
CYP11B2 P19099 6/20 0.55
TNF P01375 1/20 0.55
HTR6 P50406 1/20 0.50
EGLN1 Q9GZT9 1/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EGLN3 Q9H6Z9 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
ADORA2A P29274 1/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL22533862 0.87 PKM (0.44) CYP11B1CYP11B2TNFHTR6HTT
SCHEMBL3788877 0.78 CYP11B1 (0.58) CYP11B1CYP11B2TNFHTR6EGLN1
SCHEMBL229001 0.78 LMNA (0.59) CYP11B1CYP11B2TNFHTR6HTT
SCHEMBL4566468 0.78 CYP11B1 (0.58) CYP11B1CYP11B2TNFHTR6EGLN1
SCHEMBL4855166 0.78 CYP11B1 (0.58) CYP11B1CYP11B2TNFHTR6EGLN1
SCHEMBL23293667 0.78 CYP11B1 (0.54) CYP11B1CYP11B2TNFHTR6EGLN1
SCHEMBL4551517 0.75 CYP11B1 (0.54) CYP11B1CYP11B2TNFHTR6EGLN1
SCHEMBL4551518 0.75 CYP11B1 (0.54) CYP11B1CYP11B2TNFHTR6EGLN1
SCHEMBL18585038 0.73 ASAH1 (0.39) EGLN1LMNASMN1; SMN2NR1H4ADORA2A
SCHEMBL22533753 0.72 CYP11B1 (0.43) CYP11B1CYP11B2TNFHTTLMNA

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 8 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-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
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
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 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 CYP11B1 697/4885CYP11B2 918/4885TNF 3723/4885

“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.