SCHEMBL20190392

SCHEMBL20190392

O=S(=O)(c1ccccc1)n1cc(-c2nc(Cl)ncc2Br)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.54
▸ DRD2 P14416 4/20 0.54
▸ HTR2A P28223 3/20 0.54
▸ HTR7 P34969 3/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44

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
SCHEMBL517689 0.91 L3MBTL1 (0.57) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039811 0.88 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL29429815 0.88 HTR6 (0.56) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039808 0.86 HTR6 (0.55) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL6039554 0.86 HTR6 (0.58) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL28313363 0.84 HTR6 (0.53) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL25219570 0.82 HTR6 (0.50) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL28312482 0.81 HTR6 (0.48) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL23152049 0.80 HTR6 (0.49) HTR6DRD2HTR2AHTR7HTR1A
SCHEMBL3819496 0.78 HTR6 (0.58) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
EP-3544971-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA FARBER CANCER INST INC (US) 2022-07-06 — — EP disclosed
EP-3544971-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2019-10-02 — — EP disclosed
WO-2018098361-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 — — WO disclosed
WO-2018098361-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 — — 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 (1 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-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 HTR6 3773/4885DRD2 4472/4885HTR2A 2259/4885

“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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