SCHEMBL16655102

SCHEMBL16655102

CN(C)CC=CC(=O)Nc1ccc(C(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)cc1F

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.75
▸ CDK12 Q9NYV4 17/20 0.75
▸ CDK7 P50613 16/20 0.75
▸ CCNH P51946 16/20 0.75
▸ CDK9 P50750 14/20 0.75
▸ CDK2 P24941 14/20 0.75
▸ CDK13 Q14004 13/20 0.75
▸ CCNT1 O60563 13/20 0.75
▸ CCNA2 P20248 12/20 0.75
▸ MNAT1 P51948 10/20 0.71
▸ CDK3 Q00526 1/20 0.71
▸ JUN P05412 2/20 0.62
▸ MAPK8 P45983 2/20 0.62
▸ MAPK9 P45984 2/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ RPS6KA3 P51812 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
SCHEMBL16655100 1.00 CCNK (0.75) CCNKCDK12CDK7CCNHCDK9
SCHEMBL16655900 0.93 CCNK (0.76) CCNKCDK12CDK7CCNHCDK9
SCHEMBL16655901 0.93 CCNK (0.76) CCNKCDK12CDK7CCNHCDK9
SCHEMBL28862161 0.92 CCNK (0.64) CCNKCDK12CDK7CCNHCDK9
SCHEMBL16655001 0.90 CDK7 (0.92) CCNKCDK12CDK7CCNHCDK9
SCHEMBL16654999 0.90 CDK7 (0.92) CCNKCDK12CDK7CCNHCDK9
SCHEMBL16655076 0.88 CCNK (0.75) CCNKCDK12CDK7CCNHCDK9
SCHEMBL16655075 0.88 CCNK (0.75) CCNKCDK12CDK7CCNHCDK9
SCHEMBL16665146 0.87 CDK7 (0.82) CCNKCDK12CDK7CCNHCDK9
SCHEMBL18047345 0.87 CDK7 (0.82) CCNKCDK12CDK7CCNHCDK9

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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