SCHEMBL16664896

SCHEMBL16664896

O=S(=O)(c1ccccc1)n1cc(-c2nc(N[C@@H]3CCCNC3)ncc2Cl)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 18/20 0.74
CDK9 P50750 18/20 0.74
CDK7 P50613 14/20 0.74
CCNH P51946 13/20 0.74
MNAT1 P51948 12/20 0.74
CCNE1 P24864 14/20 0.68
CDK2 P24941 14/20 0.68
CCNK O75909 15/20 0.60
CDK12 Q9NYV4 15/20 0.60
CRBN Q96SW2 1/20 0.59
HTR6 P50406 1/20 0.50

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
SCHEMBL16655161 1.00 CCNT1 (0.74) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL30440015 1.00 CCNT1 (0.74) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL29394684 1.00 CCNT1 (0.74) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL30886754 1.00 CCNT1 (0.74) CCNT1CDK9CDK7CCNHMNAT1
Hydrochloric Acid SCHEMBL31006806 0.99 CCNT1 (0.73) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16655092 0.95 CCNT1 (0.66) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665576 0.95 CCNT1 (0.66) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16655089 0.95 CCNT1 (0.66) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL29994336 0.90 CCNT1 (0.59) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16655358 0.90 CCNT1 (0.59) CCNT1CDK9CDK7CCNHMNAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574255-B Organic arsine-based CDK inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2024-05-10 CN disclosed
US-20220227734-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-07-21 US disclosed
CN-113993519-A Degradation agent for cyclin dependent kinase 12(CDK12) and use thereof 达纳-法伯癌症研究公司 2022-01-28 CN disclosed
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-06-22 US disclosed
WO-2021057867-A1 CLASS OF CDK INHIBITOR BASED ON ORGANIC ARSINE, PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-04-01 WO disclosed
CN-112574255-A Organic arsine-based CDK inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2021-03-30 CN disclosed
WO-2020219650-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 WO disclosed
WO-2020219650-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 WO disclosed
US-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-08-08 US disclosed
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 US disclosed
EP-3057955-B1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2018-04-11 EP disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
EP-3126352-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2017-02-08 EP disclosed
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 2016-09-15 US disclosed
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 2016-09-15 US disclosed
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 WO disclosed
WO-2015058126-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 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 (6 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-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK4 CCNT1 33/4885CDK9 6/4885CDK7 1/4885
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases CDK7, CDK3, CDK4 CCNT1 33/4885CDK9 6/4885CDK7 1/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNT1 34/4885CDK9 3/4885CDK7 1/4885
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CCNT1 35/4885CDK9 5/4885CDK7 1/4885
US-20220227734-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK2 CCNT1 67/4885CDK9 9/4885CDK7 31/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNT1 34/4885CDK9 3/4885CDK7 1/4885

“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.