SCHEMBL16655202

SCHEMBL16655202

Cc1c(I)c2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.47
PTGDR Q13258 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
AGTR1 P30556 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR1A P37288 1/20 0.45
SRC P12931 1/20 0.44
PLK1 P53350 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL1757851 0.84 HTR6 (0.53) HTR6PTGDR2AGTR1
SCHEMBL19605706 0.83 HTR6 (0.50) HTR6PTGDRPTGDR2AGTR1LMNA
SCHEMBL2732076 0.81 FABP3 (0.50) HTR6AGTR1LMNASMN1; SMN2SRC
SCHEMBL3564084 0.81 SRC (0.51) HTR6PTGDRPTGDR2AGTR1LMNA
SCHEMBL12093313 0.79 HTR6 (0.70) HTR6LMNASRCMEN1KMT2A
SCHEMBL14595048 0.78 AGTR1 (0.53) HTR6AGTR1SMN1; SMN2
SCHEMBL4583577 0.78 PTGDR2 (0.64) HTR6PTGDR2
SCHEMBL7192965 0.77 AGTR1 (0.55) HTR6AGTR1LMNASMN1; SMN2SRC
SCHEMBL15558579 0.75 BRD4 (0.46) HTR6PTGDRPTGDR2AGTR1SRC
SCHEMBL30159837 0.74 PCSK9 (0.57) HTR6AGTR1SMN1; SMN2

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-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
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-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-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
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-2016058544-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2016-04-21 WO disclosed
WO-2016058544-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2016-04-21 WO disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 WO disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 WO disclosed
CN-102617569-A Beta-carboline derivative having antitumor activity and preparation method thereof UNIV HUNAN NORMAL 2012-08-01 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 (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 3698/4885PTGDR 2465/4885PTGDR2 1496/4885
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885PTGDR 2348/4885PTGDR2 1957/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 HTR6 3698/4885PTGDR 2465/4885PTGDR2 1496/4885
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885PTGDR 2348/4885PTGDR2 1957/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 HTR6 3698/4885PTGDR 2465/4885PTGDR2 1496/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885PTGDR 2348/4885PTGDR2 1957/4885
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885PTGDR 2348/4885PTGDR2 1957/4885
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885PTGDR 2348/4885PTGDR2 1957/4885

“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.