SCHEMBL18047422

SCHEMBL18047422

CN(C)CC=CC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.95

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 20/20 0.95
▸ CCNH P51946 18/20 0.95
▸ CCNK O75909 15/20 0.95
▸ CDK9 P50750 15/20 0.95
▸ CDK12 Q9NYV4 15/20 0.95
▸ CCNT1 O60563 14/20 0.95
▸ MNAT1 P51948 11/20 0.95
▸ CDK13 Q14004 12/20 0.76
▸ CDK2 P24941 11/20 0.76
▸ CCNA2 P20248 10/20 0.76
▸ RPS6KA3 P51812 1/20 0.75
▸ CDK3 Q00526 1/20 0.73
▸ CDK1 P06493 1/20 0.70
▸ CCNB1 P14635 1/20 0.70
▸ MAPK8 P45983 1/20 0.70
▸ MAPK9 P45984 1/20 0.70
▸ CDK5 Q00535 1/20 0.70
▸ CDK5R1 Q15078 1/20 0.70
▸ MAP3K11 Q16584 1/20 0.70

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
SCHEMBL18047401 1.00 CDK7 (0.95) CDK7CCNHCCNKCDK9CDK12
SCHEMBL21397215 1.00 CDK7 (0.95) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18047403 1.00 CDK7 (0.95) CDK7CCNHCCNKCDK9CDK12
SCHEMBL16665597 1.00 CDK7 (0.95) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18074056 1.00 CDK7 (0.95) CDK7CCNHCCNKCDK9CDK12
SCHEMBL16665077 0.97 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12
SCHEMBL16665073 0.97 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18047286 0.97 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12
SCHEMBL16665075 0.97 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12
SCHEMBL16665076 0.97 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12

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 2 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

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

“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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