SCHEMBL16655134

SCHEMBL16655134

Nc1ccc(C(=O)N2CCC(Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 5/20 0.48
CDK2 P24941 13/20 0.43
MAPK8 P45983 11/20 0.43
MAPK9 P45984 11/20 0.43
JUN P05412 10/20 0.43
MAPK10 P53779 7/20 0.43
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CCNH P51946 2/20 0.42
MNAT1 P51948 1/20 0.42
CCNA2 P20248 3/20 0.40
CCNA1 P78396 2/20 0.40
CCNK O75909 1/20 0.39
CDK13 Q14004 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
HTR6 P50406 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL16655351 0.92 MAPK8 (0.45) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL16655007 0.91 CDK2 (0.46) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL16654752 0.88 CDK7 (0.49) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL16654808 0.87 CDK2 (0.48) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL16654810 0.87 CDK2 (0.48) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL16655415 0.87 CDK2 (0.48) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL29994232 0.86 CDK2 (0.49) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL16655197 0.86 CDK7 (0.67) CDK7CDK2CCNT1CDK9CCNH
SCHEMBL16655016 0.85 MAPK8 (0.46) CDK7CDK2MAPK8MAPK9JUN
SCHEMBL28862211 0.85 CCNK (0.46) CDK7CDK2MAPK8MAPK9JUN

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 10 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
EP-3057964-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 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
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 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 CDK7 1/4885CDK2 9/4885MAPK8 352/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK7 1/4885CDK2 4/4885MAPK8 532/4885

“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.