SCHEMBL21561671

SCHEMBL21561671

C=C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 0.76
▸ CCNH P51946 16/20 0.76
▸ CDK2 P24941 16/20 0.76
▸ CDK9 P50750 15/20 0.76
▸ CCNK O75909 14/20 0.76
▸ CCNT1 O60563 14/20 0.76
▸ CCNA2 P20248 14/20 0.76
▸ CDK12 Q9NYV4 13/20 0.76
▸ CDK13 Q14004 13/20 0.76
▸ MNAT1 P51948 8/20 0.76
▸ CDK3 Q00526 1/20 0.76
▸ JUN P05412 2/20 0.64
▸ MAPK8 P45983 2/20 0.64
▸ MAPK9 P45984 2/20 0.64
▸ MAPK10 P53779 2/20 0.64

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
SCHEMBL21561657 0.90 CCNK (0.83) CDK7CCNHCDK2CDK9CCNK
SCHEMBL29129070 0.87 CDK7 (0.86) CDK7CCNHCDK2CDK9CCNK
SCHEMBL21561669 0.86 CDK2 (0.74) CDK7CCNHCDK2CDK9CCNK
SCHEMBL16655248 0.86 CDK7 (1.00) CDK7CCNHCDK2CDK9CCNK
SCHEMBL16655252 0.86 CDK7 (1.00) CDK7CCNHCDK2CDK9CCNK
SCHEMBL16655251 0.86 CDK7 (1.00) CDK7CCNHCDK2CDK9CCNK
SCHEMBL29434977 0.86 CDK7 (1.00) CDK7CCNHCDK2CDK9CCNK
SCHEMBL16664894 0.86 CDK7 (1.00) CDK7CCNHCDK2CDK9CCNK
SCHEMBL16655250 0.86 CDK7 (1.00) CDK7CCNHCDK2CDK9CCNK
SCHEMBL29392974 0.86 CDK7 (1.00) CDK7CCNHCDK2CDK9CCNK

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-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 — — US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 — — US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 — — US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 — — 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 (4 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-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CDK7 2189/4885CCNH 2179/4885CDK2 837/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CDK7 2189/4885CCNH 2179/4885CDK2 837/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CDK7 2189/4885CCNH 2179/4885CDK2 837/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CDK7 2189/4885CCNH 2179/4885CDK2 837/4885

“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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