SCHEMBL20204764

SCHEMBL20204764

C=C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 15/20 0.74
CCNH P51946 14/20 0.74
CDK5 Q00535 4/20 0.74
CDK5R1 Q15078 3/20 0.74
CDK13 Q14004 2/20 0.74
CDK12 Q9NYV4 2/20 0.74
CDK1 P06493 2/20 0.74
CDK2 P24941 2/20 0.74
CDK9 P50750 2/20 0.74
MNAT1 P51948 2/20 0.74
MAP3K11 Q16584 2/20 0.74
CCNT1 O60563 1/20 0.74
CCNK O75909 1/20 0.74
CCNB1 P14635 1/20 0.74
CCNA2 P20248 1/20 0.74
MAPK8 P45983 1/20 0.74
MAPK9 P45984 1/20 0.74
EGFR P00533 3/20 0.74
CDK8 P49336 1/20 0.67

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
SCHEMBL18313560 0.92 EGFR (0.87) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL20204769 0.89 CDK7 (0.81) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL23609218 0.87 CDK7 (0.77) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL21561642 0.87 CDK7 (0.71) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL29613464 0.87 CDK7 (0.84) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL29129160 0.87 CDK7 (0.84) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL20204778 0.86 EGFR (0.71) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL20204773 0.85 CDK7 (0.71) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL23682983 0.85 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK13
SCHEMBL14979765 0.85 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK13

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 5 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
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 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 (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 2179/4885CDK5 213/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CDK7 2189/4885CCNH 2179/4885CDK5 213/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CDK7 2189/4885CCNH 2179/4885CDK5 213/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CDK7 2189/4885CCNH 2179/4885CDK5 213/4885

“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.