SCHEMBL16655035

SCHEMBL16655035

CN(C)CC=CC(=O)Nc1ccc(C(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]cn4)n3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.67
▸ CDK12 Q9NYV4 18/20 0.67
▸ CDK7 P50613 14/20 0.67
▸ CCNH P51946 14/20 0.67
▸ CCNA2 P20248 11/20 0.67
▸ CDK2 P24941 11/20 0.67
▸ CDK9 P50750 9/20 0.67
▸ CDK13 Q14004 9/20 0.67
▸ CCNT1 O60563 8/20 0.67
▸ MNAT1 P51948 9/20 0.63
▸ CDK3 Q00526 1/20 0.63
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60

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
SCHEMBL16655034 1.00 CCNK (0.67) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16654911 0.88 CCNK (0.68) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16654909 0.88 CCNK (0.68) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL18047399 0.85 CCNK (0.65) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16665736 0.85 CCNK (0.65) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16653960 0.84 MAPK8 (0.66) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL18047408 0.84 MAPK8 (0.66) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16655001 0.84 CDK7 (0.92) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16654999 0.84 CDK7 (0.92) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16665770 0.83 CCNK (0.65) CCNKCDK12CDK7CCNHCCNA2

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 10/4885CDK12 27/4885CDK7 1/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CCNK 9/4885CDK12 27/4885CDK7 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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