SCHEMBL3059949

SCHEMBL3059949

O=[N+]([O-])c1cc[n+]([O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
VCAM1 P19320 8/20 0.41
HPGD P15428 1/20 0.37
PDE7A Q13946 1/20 0.37
GSR P00390 1/20 0.36
TXNRD1 Q16881 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7034289 0.84 VCAM1 (0.45) TSHRMAPK1TDP1F2PRSS1
SCHEMBL15804255 0.81 CYP3A4 (0.39) TSHRMAPK1TDP1VCAM1HPGD
SCHEMBL30563095 0.80 HSD17B10 (0.50) TSHRTDP1HPGDHSD17B10
SCHEMBL172188 0.80 HSD17B10 (0.50) TSHRTDP1HPGDHSD17B10
SCHEMBL14884422 0.77 TDP1 (0.46) TSHRMAPK1TDP1F2PRSS1
SCHEMBL8568031 0.76 TDP1 (0.47) TSHRMAPK1TDP1CA1CA2
SCHEMBL1815079 0.76 TDP1 (0.47) TSHRTDP1F2PRSS1PRSS2
SCHEMBL10547254 0.76 GPR35 (0.46) TSHRMAPK1TDP1CA1CA2
SCHEMBL741363 0.76 ALDH1A1 (0.36) TDP1CA1CA2VCAM1HSD17B10
SCHEMBL4383031 0.74 EPAS1 (0.44) TSHRMAPK1TDP1HPGDPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP claimed
US-5100768-A Photoresists for integrated circuits, polyvinyl phenol and nitrogen containing heterocycle KABUSHIKI KAISHA TOSHIBA (JP) 1992-03-31 US claimed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP claimed
US-10000507-B2 Furo- and thieno-pyridine carboxamide compounds useful as pim kinase inhibitors INCYTE CORPORATION (US) 2018-06-19 US disclosed
US-9902858-B2 Nonlinear optical dye, photorefractive material composition, photorefractive substrate and hologram recording medium TOYO KOHAN CO., LTD. (JP) 2018-02-27 US disclosed
US-9902858-B2 Nonlinear optical dye, photorefractive material composition, photorefractive substrate and hologram recording medium TOYO KOHAN CO., LTD. (JP) 2018-02-27 US disclosed
US-20170190716-A1 FURO- AND THIENO-PYRIDINE CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-9556197-B2 Furo- and thieno-pyridine carboxamide compounds useful as pim kinase inhibitors INCYTE CORPORATION (US) 2017-01-31 US disclosed
US-20160230010-A1 NONLINEAR OPTICAL DYE, PHOTOREFRACTIVE MATERIAL COMPOSITION, PHOTOREFRACTIVE SUBSTRATE AND HOLOGRAM RECORDING MEDIUM TOYO KOHAN CO., LTD. (JP) 2016-08-11 US disclosed
US-20160230010-A1 NONLINEAR OPTICAL DYE, PHOTOREFRACTIVE MATERIAL COMPOSITION, PHOTOREFRACTIVE SUBSTRATE AND HOLOGRAM RECORDING MEDIUM TOYO KOHAN CO., LTD. (JP) 2016-08-11 US disclosed
EP-3036238-A1 FURO- AND THIENO-PYRIDINE CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS Incyte Corporation (US) 2016-06-29 EP disclosed
EP-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 EP disclosed
US-5100768-A Photoresists for integrated circuits, polyvinyl phenol and nitrogen containing heterocycle KABUSHIKI KAISHA TOSHIBA (JP) 1992-03-31 US disclosed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP disclosed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US disclosed
US-4788196-A Phenyl piperazine anti-arrhythmia agents PFIZER INC. (US) 1988-11-29 US disclosed
EP-0244115-A2 Phenyl-piperazine anti-arrhythmia agents Pfizer Limited (GB) 1987-11-04 EP disclosed
CN-87102873-A Phenylpiperazine anti-dysrhythmia agents and preparation method thereof 1987-10-28 CN disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 EP disclosed
CN-87100652-A ANTI-DYSRHYTHMIA AGENTS 1987-08-19 CN 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-20170190716-A1 FURO- AND THIENO-PYRIDINE CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 TSHR 2144/4885MAPK1 285/4885TDP1 729/4885
US-10000507-B2 Furo- and thieno-pyridine carboxamide compounds useful as pim kinase inhibitors PIM1, PIM2, PIM3 TSHR 2144/4885MAPK1 285/4885TDP1 729/4885

“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.