SCHEMBL2460281

SCHEMBL2460281

CS(=O)(=O)n1cccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.39
PPME1 Q9Y570 6/20 0.38
APEH P13798 1/20 0.38
CYP1A2 P05177 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.36
KMT2A Q03164 1/20 0.34

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
SCHEMBL2464163 0.75 TRIM24 (0.42) TRIM24TRIM33ATMALDH1A1GAA
SCHEMBL1616366 0.75 PPME1 (0.60) TRIM24TRIM33ATMALDH1A1PPME1
SCHEMBL2457308 0.74 RAPGEF4 (0.58) TRIM24TRIM33ALDH1A1GAAPPME1
SCHEMBL30895883 0.74 HCAR2 (0.40) ATMPPME1APEHKMT2A
SCHEMBL30895905 0.74 HCAR2 (0.40) ATMPPME1APEHKMT2A
SCHEMBL29221130 0.73 RAPGEF4 (0.59) TRIM24TRIM33ATMALDH1A1GAA
SCHEMBL5247297 0.72 RAPGEF4 (0.60) TRIM24TRIM33ALDH1A1PPME1APEH
SCHEMBL15155241 0.71 HTR6 (0.39) ALDH1A1PPME1APEHHTR6
SCHEMBL3964676 0.71 PPME1 (0.45) TRIM24TRIM33PPME1APEHHTR6
SCHEMBL3964674 0.71 PPME1 (0.58) ALDH1A1PPME1APEHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2021-07-08 US disclosed
CN-106866658-B 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2021-04-27 CN disclosed
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2021-01-12 US disclosed
CN-111484493-A 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2020-08-04 CN disclosed
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS DEVELOPMENT LIMITED (GB) 2018-12-20 US disclosed
US-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2018-06-19 US disclosed
EP-2809670-B1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS R&D LTD (GB) 2017-05-17 EP disclosed
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2015-01-08 US disclosed
EP-2809670-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS Vernalis (R&D) Limited (GB) 2014-12-10 EP disclosed
CN-104203948-A 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors VERNALIS R&D LTD 2014-12-10 CN disclosed
US-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility N.V. ORGANON (NL) 2008-11-06 US disclosed
EP-1881830-B1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-10-08 EP disclosed
CN-101212973-A 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 CN disclosed
EP-1881830-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-30 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
WO-2006117368-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 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 (7 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-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility CATSPER1, ABCB11, ACR TRIM24 3988/4885TRIM33 3373/4885ATM 2568/4885
US-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 TRIM24 2352/4885TRIM33 2545/4885ATM 420/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 TRIM24 4706/4885TRIM33 4220/4885ATM 4357/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 TRIM24 2352/4885TRIM33 2545/4885ATM 420/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 TRIM24 2352/4885TRIM33 2545/4885ATM 420/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 TRIM24 2352/4885TRIM33 2545/4885ATM 420/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 TRIM24 2352/4885TRIM33 2545/4885ATM 420/4885

“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.