SCHEMBL16655446

SCHEMBL16655446

CS(=O)(=O)NC/C=C/C(=O)Nc1ccc(CN2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.63
▸ CCNK O75909 12/20 0.63
▸ CDK7 P50613 12/20 0.63
▸ CDK9 P50750 12/20 0.63
▸ CCNH P51946 12/20 0.63
▸ CDK12 Q9NYV4 12/20 0.63
▸ CDK13 Q14004 11/20 0.63
▸ CCNT1 O60563 11/20 0.63
▸ CCNA2 P20248 9/20 0.63
▸ MAPK8 P45983 8/20 0.61
▸ MAPK9 P45984 8/20 0.61
▸ JUN P05412 7/20 0.61
▸ MAPK10 P53779 6/20 0.61
▸ MNAT1 P51948 7/20 0.60
▸ CDK3 Q00526 1/20 0.60
▸ RPS6KA3 P51812 1/20 0.58

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
SCHEMBL18047400 1.00 CDK2 (0.63) CDK2CCNKCDK7CDK9CCNH
SCHEMBL16655152 0.92 CDK2 (0.66) CDK2CCNKCDK7CDK9CCNH
SCHEMBL16655150 0.92 CDK2 (0.66) CDK2CCNKCDK7CDK9CCNH
SCHEMBL16665633 0.91 CDK2 (0.65) CDK2CCNKCDK7CDK9CCNH
SCHEMBL16655411 0.90 CDK2 (0.64) CDK2CCNKCDK7CDK9CCNH
SCHEMBL18074111 0.90 CDK2 (0.65) CDK2CCNKCDK7CDK9CCNH
SCHEMBL16655417 0.89 CDK7 (0.79) CDK2CCNKCDK7CDK9CCNH
SCHEMBL16655414 0.89 CDK7 (0.79) CDK2CCNKCDK7CDK9CCNH
Hydrochloric Acid SCHEMBL16654994 0.89 CDK2 (0.64) CDK2CCNKCDK7CDK9CCNH
Hydrochloric Acid SCHEMBL16654995 0.89 CDK2 (0.64) CDK2CCNKCDK7CDK9CCNH

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 7 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
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 CDK2 9/4885CCNK 10/4885CDK7 1/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK2 4/4885CCNK 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.

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