SCHEMBL16665658

SCHEMBL16665658

Cc1ccc(S(=O)(=O)n2c(C)c(-c3nc(NC4CCN(C(=O)c5ccc(NC(=O)OC(C)(C)C)cc5)CC4)ncc3Cl)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 11/20 0.44
CCNK O75909 10/20 0.44
CDK2 P24941 9/20 0.44
CDK13 Q14004 6/20 0.44
CDK7 P50613 5/20 0.44
CDK9 P50750 5/20 0.44
CCNH P51946 5/20 0.44
CCNT1 O60563 4/20 0.44
CCNA2 P20248 3/20 0.44
MAPK8 P45983 8/20 0.44
MAPK9 P45984 8/20 0.44
MNAT1 P51948 3/20 0.42
CDK3 Q00526 1/20 0.42
MAPK10 P53779 4/20 0.42
JUN P05412 6/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL18078621 0.90 CDK2 (0.45) CDK12CCNKCDK2CDK13CDK7
SCHEMBL18074073 0.88 MAPK8 (0.45) CDK12CCNKCDK2CDK13CDK7
SCHEMBL18074077 0.84 BTK (0.39) CDK2CDK7MAPK8MAPK9MAPK10
SCHEMBL16665626 0.84 BTK (0.39) CDK2CDK7MAPK8MAPK9MAPK10
SCHEMBL16665177 0.84 CDK7 (0.51) CDK12CCNKCDK2CDK13CDK7
SCHEMBL16655280 0.83 CDK2 (0.47) CDK12CCNKCDK2CDK13CDK7
SCHEMBL16655004 0.79 CDK12 (0.52) CDK12CCNKCDK2CDK13CDK7
SCHEMBL16655006 0.79 CDK12 (0.52) CDK12CCNKCDK2CDK13CDK7
SCHEMBL16655343 0.79 CDK12 (0.52) CDK12CCNKCDK2CDK13CDK7
SCHEMBL16665668 0.78 CDK12 (0.53) CDK12CCNKCDK2CDK13CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) 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 (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-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK12 27/4885CCNK 9/4885CDK2 4/4885

“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.