SCHEMBL79742

SCHEMBL79742

BrCCCc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ GPR84 Q9NQS5 1/20 0.49
▸ CYP2D6 P10635 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ MTNR1A P48039 2/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MCL1 Q07820 2/20 0.44
▸ ACP3 P15309 1/20 0.44
▸ BCHE P06276 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
SCHEMBL6680287 0.94 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL6680890 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL6686054 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL31035973 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL6684955 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL6679058 0.92 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL217557 0.87 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL29756497 0.87 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A
SCHEMBL9800436 0.87 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9GPR84CYP2D6
SCHEMBL5830948 0.87 GPR84 (0.59) CYP1A2CYP2C19CYP2C9GPR84CYP2D6

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
WO-2017160632-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 — — EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 — — EP disclosed
CN-101730677-B Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-16 — — CN disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 — — EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 — — US disclosed
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 — — US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 — — EP disclosed
EP-0604409-A4 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION. ISIS PHARMACEUTICALS INC (US) 1996-06-12 — — EP disclosed
EP-0604409-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1994-07-06 — — EP disclosed
EP-0318234-B1 IMPROVEMENTS IN OR RELATING TO SELECTIVE SEROTONIN UPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 1993-03-17 — — EP disclosed
WO-1991010671-A1 COMPOSITIONS AND METHODS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 1991-07-25 — — WO disclosed
EP-0318234-A2 Improvements in or relating to selective serotonin uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 — — EP disclosed
EP-0306863-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-03-15 — — 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 (3 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-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE MPO, NOX5, SERPINB1 CYP1A2 180/4885CYP2C19 173/4885CYP2C9 315/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 CYP1A2 180/4885CYP2C19 173/4885CYP2C9 315/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C CYP1A2 355/4885CYP2C19 78/4885CYP2C9 70/4885

“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.

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