SCHEMBL22076261

SCHEMBL22076261

O=C(O)c1ccc2cc[nH]c2c1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
PTPRC P08575 2/20 0.44
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
PTPRB P23467 2/20 0.44
PTPRE P23469 2/20 0.44
PTPN6 P29350 2/20 0.44
PDPK1 O15530 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ENPP2 Q13822 1/20 0.41
HSD17B10 Q99714 1/20 0.41
WDR5 P61964 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
LDHA P00338 1/20 0.38

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
SCHEMBL22076283 0.84 PDPK1 (0.59) KEAP1PDPK1IKBKBCHUK
SCHEMBL24308142 0.80 CHEK1 (0.45) KEAP1PTPRCPTPN2PTPN1PTPRB
SCHEMBL12377148 0.78 KEAP1 (0.58) KEAP1PTPRCPTPN2PTPN1PTPRB
SCHEMBL2285281 0.78 KEAP1 (0.58) KEAP1PTPRCPTPN2PTPN1PTPRB
SCHEMBL23538104 0.78 KEAP1 (0.58) KEAP1PTPRCPTPN2PTPN1PTPRB
SCHEMBL28878115 0.74 KEAP1 (0.53) KEAP1PTPRCPTPN2PTPN1PTPRB
SCHEMBL336234 0.73 KEAP1 (1.00) KEAP1PDPK1KDM4EALDH1A1HPGD
SCHEMBL29696550 0.73 KEAP1 (1.00) KEAP1PDPK1KDM4EALDH1A1HPGD
SCHEMBL552639 0.73 KEAP1 (0.56) KEAP1PTPRCPTPN2PTPN1PTPRB
SCHEMBL30456331 0.73 KEAP1 (0.51) KEAP1PTPRCPTPN2PTPN1PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035393-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2026-02-05 US disclosed
US-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine INSILICO MEDICINE IP LIMITED (HK) 2025-05-08 US disclosed
US-12240869-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2025-03-04 US disclosed
EP-4455132-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Insilico Medicine IP Limited (HK) 2024-10-30 EP disclosed
CN-118647607-A Pyrimidine heterocyclic compounds, process for preparing the same and pharmaceutical use thereof 英矽智能科技(上海)有限公司 2024-09-13 CN disclosed
US-20240034742-A1 DOSING REGIMENS FOR CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS MEDIC LIFE SCIENCES, INC. 2024-02-01 US disclosed
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-09-21 US disclosed
EP-4229038-A1 DOSING REGIMENS FOR CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS Syros Pharmaceuticals, Inc. (US) 2023-08-23 EP disclosed
WO-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 WO disclosed
EP-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 EP disclosed
US-20210401859-A1 METHODS OF TREATING CANCER IN BIOMARKER-IDENTIFIED PATIENTS WITH NON-COVALENT INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2021-12-30 US disclosed
US-20210403495-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2021-12-30 US disclosed
CN-113677346-A Inhibitors of cyclin dependent kinase 7(CDK7) 希洛斯医药品股份有限公司 2021-11-19 CN disclosed
EP-3873462-A1 METHODS OF TREATING CANCER IN BIOMARKER-IDENTIFIED PATIENTS WITH NON-COVALENT INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2021-09-08 EP disclosed
EP-3873477-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2021-09-08 EP disclosed
CN-113226306-A Methods of treating cancer in a patient identified by a biomarker using a non-covalent inhibitor of cyclin dependent kinase 7(CDK7) 希洛斯医药品股份有限公司 2021-08-06 CN disclosed
US-10738067-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-08-11 US disclosed
US-10738067-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-08-11 US disclosed
US-20200190126-A1 Inhibitors of Cyclin-Dependent Kinase 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2020-06-18 US disclosed
US-20200190126-A1 Inhibitors of Cyclin-Dependent Kinase 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2020-06-18 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 (9 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-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF CDK7, CDK6, CDK9 KEAP1 1545/4885PTPRC 2121/4885PTPN2 2710/4885
US-20240034742-A1 DOSING REGIMENS FOR CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS CDK7, CCNI, CDK17 KEAP1 1563/4885PTPRC 2881/4885PTPN2 3164/4885
US-20210403495-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK1, CDK17 KEAP1 1634/4885PTPRC 2564/4885PTPN2 3595/4885
US-20250145632-A1 Pyrimidine Heterocyclic Compound, Preparation Method Thereof and use Thereof in Medicine DPYD, TYMP, NUDT1 KEAP1 1708/4885PTPRC 1906/4885PTPN2 1279/4885
US-10738067-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK1, CDK17 KEAP1 1634/4885PTPRC 2564/4885PTPN2 3595/4885
US-12240869-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK1, CDK17 KEAP1 1634/4885PTPRC 2564/4885PTPN2 3595/4885
US-20260035393-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNI KEAP1 4256/4885PTPRC 2102/4885PTPN2 2184/4885
US-20210401859-A1 METHODS OF TREATING CANCER IN BIOMARKER-IDENTIFIED PATIENTS WITH NON-COVALENT INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK4, RB1 KEAP1 478/4885PTPRC 2815/4885PTPN2 2331/4885
US-20200190126-A1 Inhibitors of Cyclin-Dependent Kinase 7 (CDK7) CDK7, CDK1, CDK17 KEAP1 1634/4885PTPRC 2564/4885PTPN2 3595/4885

“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.