SCHEMBL162457

SCHEMBL162457

O=C=Nc1cccc(C2OC=CO2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ TSHR P16473 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31

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
SCHEMBL4178543 0.83 MIF (0.44) TDP1CYP3A4CYP1A2GABRA1GABRB2
SCHEMBL13359882 0.80 CYP3A4 (0.38) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL26672083 0.75 MAPK1 (0.40) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL10615043 0.74 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL27873 0.74 TDP1 (0.54) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL27621561 0.72 TDP1 (0.52) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL11344825 0.71 KMO (0.49) MAPK1TDP1CYP3A4TRPA1
SCHEMBL22966418 0.71 KMO (0.49) MAPK1TDP1CYP3A4TRPA1
Ethylene SCHEMBL10425506 0.71 TDP1 (0.50) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL59005 0.70 MAPK1 (0.45) MAPK1TDP1CYP3A4TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568888-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2020-02-25 — — US disclosed
US-20190336506-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC 2019-11-07 — — US disclosed
US-10391097-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2019-08-27 — — US disclosed
US-20180360839-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS TRANSTECH PHARMA, INC. 2018-12-20 — — US disclosed
US-10085990-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2018-10-02 — — US disclosed
US-20180071297-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS VTV THERAPEUTICS LLC 2018-03-15 — — US disclosed
EP-1919465-B1 GSK-3 INHIBITORS ASD THERAPEUTICS PARTNERS LLC (US) 2017-12-27 — — EP disclosed
US-9833457-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2017-12-05 — — US disclosed
US-20170252343-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS VTV THERAPEUTICS LLC 2017-09-07 — — US disclosed
US-9687489-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2017-06-27 — — US disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 — — US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 — — WO disclosed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 — — EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 — — US disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 — — WO disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 — — EP disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 — — US disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 — — WO disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 — — WO disclosed
US-6689782-B2 3-PIPERAZINYL-2-DIARYLUREA-QUINAZOLINONE DERIVATIVES; POTENTIATORS OF ANTIFUNGAL AGENTS ESSENTIAL THERAPEUTICS, INC. 2004-02-10 — — US 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 (10 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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C MAPK1 2299/4885TDP1 37/4885CYP3A4 115/4885
US-20190336506-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, TNF MAPK1 954/4885TDP1 652/4885CYP3A4 124/4885
US-20180360839-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C MAPK1 667/4885TDP1 621/4885CYP3A4 106/4885
US-10568888-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors PDE4A, PDE4B, TNF MAPK1 954/4885TDP1 652/4885CYP3A4 124/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK MAPK1 199/4885TDP1 2697/4885CYP3A4 793/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 MAPK1 3/4885TDP1 1643/4885CYP3A4 281/4885
US-20180071297-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C MAPK1 667/4885TDP1 621/4885CYP3A4 106/4885
US-10085990-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors PDE4A, TNF, PDE4B MAPK1 617/4885TDP1 744/4885CYP3A4 113/4885
US-10391097-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors PDE4A, PDE4B, PDE4C MAPK1 667/4885TDP1 621/4885CYP3A4 106/4885
US-20170252343-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS TNF, PDE4A, PDE4B MAPK1 626/4885TDP1 283/4885CYP3A4 139/4885

“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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