SCHEMBL6039808

SCHEMBL6039808

O=S(=O)(c1ccccc1)n1cc(-c2nc(Cl)ncc2F)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 0.55
▸ DRD2 P14416 4/20 0.55
▸ HTR2A P28223 4/20 0.55
▸ HTR7 P34969 4/20 0.55
▸ HTR1A P08908 1/20 0.54
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29429815 0.88 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039811 0.88 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL21549443 0.86 HTR6 (0.61) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL20190392 0.86 HTR6 (0.54) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039554 0.86 HTR6 (0.58) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL28313363 0.84 HTR6 (0.53) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL28312482 0.83 HTR6 (0.48) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL25219570 0.82 HTR6 (0.50) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29993908 0.81 HTR6 (0.46) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL28862184 0.81 HTR6 (0.46) HTR6DRD2HTR2AHTR7HTR1A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 — — EP disclosed
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2021-03-04 — — US disclosed
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2021-03-04 — — US disclosed
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 — — US disclosed
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 — — US disclosed
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-12-15 — — US disclosed
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-12-15 — — US disclosed
CN-105849099-B Polycyclic inhibitors of cyclin dependent kinase 7(CDK7) 达纳-法伯癌症研究所股份有限公司 2020-01-17 — — CN disclosed
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-11-07 — — US disclosed
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-11-07 — — US disclosed
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-06-04 — — US disclosed
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) PARAZA PHARMA, INC. (CA) 2019-01-31 — — US disclosed
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 — — US disclosed
EP-3057956-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Dana-Farber Cancer Institute, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 — — WO disclosed
WO-2014155300-A2 SUBSTITUED PYRIMIDINE AMINE DERIVATIVES AS TAK-1 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-10-02 — — WO disclosed
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 — — 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 (8 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-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) CDK13, CDK3, CDK12 HTR6 3698/4885DRD2 4674/4885HTR2A 4265/4885
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 HTR6 3698/4885DRD2 4674/4885HTR2A 4265/4885
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 HTR6 3698/4885DRD2 4674/4885HTR2A 4265/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885

“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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