SCHEMBL16655343

SCHEMBL16655343

CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 14/20 0.52
CCNK O75909 13/20 0.52
CDK7 P50613 8/20 0.52
CCNH P51946 8/20 0.52
CDK2 P24941 8/20 0.52
CCNA2 P20248 7/20 0.52
CDK13 Q14004 6/20 0.52
CDK9 P50750 5/20 0.52
CCNT1 O60563 4/20 0.52
MNAT1 P51948 6/20 0.49
CDK3 Q00526 1/20 0.49
MAPK8 P45983 2/20 0.49
MAPK9 P45984 2/20 0.49
HTR6 P50406 1/20 0.44
JUN P05412 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL16655004 1.00 CDK12 (0.52) CDK12CCNKCDK7CCNHCDK2
SCHEMBL16655006 1.00 CDK12 (0.52) CDK12CCNKCDK7CCNHCDK2
SCHEMBL16655064 0.96 CCNK (0.52) CDK12CCNKCDK7CCNHCDK2
SCHEMBL16655280 0.96 CDK2 (0.47) CDK12CCNKCDK7CCNHCDK2
SCHEMBL21380734 0.91 CDK12 (0.53) CDK12CCNKCDK7CCNHCDK2
SCHEMBL21380732 0.91 CDK12 (0.53) CDK12CCNKCDK7CCNHCDK2
SCHEMBL21397406 0.90 CDK12 (0.52) CDK12CCNKCDK7CCNHCDK2
SCHEMBL16655219 0.89 HTR6 (0.54) CDK7CCNHCDK2CDK9CCNT1
SCHEMBL16655220 0.89 HTR6 (0.54) CDK7CCNHCDK2CDK9CCNT1
SCHEMBL16655422 0.89 HTR6 (0.54) CDK7CCNHCDK2CDK9CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US disclosed
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US disclosed
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
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 WO 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 (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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 CDK12 27/4885CCNK 10/4885CDK7 1/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK12 27/4885CCNK 9/4885CDK7 1/4885

“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.