SCHEMBL21178209

SCHEMBL21178209

CSc1ncc(C(F)(F)F)c(-c2cn(S(=O)(=O)c3ccccc3)c3nc(-c4conc4C)ccc23)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
BRD4 O60885 2/20 0.33
HTR6 P50406 4/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL21178259 0.88 HTR6 (0.34) BRD4HTR6DRD2HTR2AHTR7
SCHEMBL21178193 0.87 BRD4 (0.44) RXFP1BRD4HTR6DRD2HTR2A
SCHEMBL21178911 0.82 RXFP1 (0.35) RXFP1HTR6DRD2HTR2AHTR7
SCHEMBL21178218 0.82 RXFP1 (0.36) RXFP1HTR6DRD2HTR2AHTR7
SCHEMBL21178205 0.80 CDK7 (0.42) RXFP1HTR6DRD2HTR2AHTR7
SCHEMBL29699020 0.80 CDK7 (0.42) RXFP1HTR6DRD2HTR2AHTR7
SCHEMBL21179249 0.79 CCNK (0.49)
SCHEMBL24583126 0.79 PIK3CA (0.41) RXFP1HTR6DRD2EGFR
SCHEMBL25593890 0.78 HTR6 (0.50) HTR6DRD2HTR2AHTR7EGFR
SCHEMBL21188476 0.76 BRD4 (0.46) BRD4HTR6DRD2HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 US disclosed
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 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 (2 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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK RXFP1 3800/4885BRD4 554/4885HTR6 3385/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK RXFP1 3800/4885BRD4 554/4885HTR6 3385/4885

“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.