SCHEMBL21178259

SCHEMBL21178259

Cc1nocc1-c1ccc2c(-c3nc(S(C)(=O)=O)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.34
HTR2A P28223 5/20 0.34
DRD2 P14416 4/20 0.34
HTR7 P34969 3/20 0.34
BRD4 O60885 3/20 0.33
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
EGFR P00533 1/20 0.31
SDHB P21912 1/20 0.30

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
SCHEMBL21178209 0.88 RXFP1 (0.34) HTR6HTR2ADRD2HTR7BRD4
SCHEMBL21178210 0.87 BRD4 (0.45) HTR6HTR2ADRD2HTR7BRD4
SCHEMBL30549101 0.87 BRD4 (0.45) HTR6HTR2ADRD2HTR7BRD4
SCHEMBL21178237 0.82 HTR6 (0.33) HTR6HTR2ADRD2HTR7CDK7
SCHEMBL21178510 0.82 HTR6 (0.33) HTR6HTR2ADRD2HTR7CDK7
SCHEMBL21178230 0.80 CDK7 (0.42) HTR6HTR2ADRD2HTR7CDK7
SCHEMBL21179249 0.79 CCNK (0.49) CDK7CCNHMNAT1
SCHEMBL24588114 0.78 PIK3CA (0.41) HTR6DRD2EGFR
SCHEMBL26967483 0.77 HTR6 (0.53) HTR6HTR2ADRD2HTR7EGFR
SCHEMBL24087399 0.76

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 HTR6 3385/4885HTR2A 4559/4885DRD2 4697/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK HTR6 3385/4885HTR2A 4559/4885DRD2 4697/4885

“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.