SCHEMBL16655118

SCHEMBL16655118

CN(C)CC=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 1.00
▸ CDK7 P50613 17/20 1.00
▸ CCNH P51946 17/20 1.00
▸ CDK12 Q9NYV4 16/20 1.00
▸ CDK9 P50750 14/20 1.00
▸ CCNT1 O60563 13/20 1.00
▸ CDK13 Q14004 12/20 1.00
▸ CCNA2 P20248 12/20 1.00
▸ CDK2 P24941 12/20 1.00
▸ MNAT1 P51948 10/20 0.94
▸ CDK3 Q00526 1/20 0.94
▸ RPS6KA3 P51812 1/20 0.70
▸ MAPK8 P45983 1/20 0.68
▸ MAPK9 P45984 1/20 0.68

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
SCHEMBL16655073 1.00 CCNK (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655072 1.00 CCNK (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655070 1.00 CCNK (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655115 1.00 CCNK (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655252 0.97 CDK7 (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655251 0.97 CDK7 (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655248 0.97 CDK7 (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16655250 0.97 CDK7 (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL16664894 0.97 CDK7 (1.00) CCNKCDK7CCNHCDK12CDK9
SCHEMBL29392974 0.97 CDK7 (1.00) CCNKCDK7CCNHCDK12CDK9

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 4 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-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

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 CCNK 10/4885CDK7 1/4885CCNH 32/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CCNK 9/4885CDK7 1/4885CCNH 32/4885

“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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