SCHEMBL21561704

SCHEMBL21561704

Cn1cnc(NC(=O)CS)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 1/20 0.40
▸ MAPK7 Q13164 1/20 0.40
▸ FGFR4 P22455 1/20 0.38
▸ CDK5 Q00535 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ ACSS2 Q9NR19 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL21561683 0.84 CD38 (0.39) CD38MAPK7FGFR4CDK5CDK5R1
SCHEMBL20191038 0.83 CD38 (0.38) CD38MAPK7FGFR4CDK5CDK5R1
SCHEMBL28851081 0.78 L3MBTL1 (0.48) CD38MAPK7FGFR4ACSS2HDAC1
SCHEMBL21561703 0.78 ALDH1A1 (0.38) CD38MAPK7FGFR4CDK5CDK5R1
Iodoacetamide SCHEMBL21543916 0.78 CD38 (0.35) CD38MAPK7FGFR4CDK5CDK5R1
SCHEMBL24801406 0.74 CCNE1 (0.42) CD38MAPK7FGFR4CDK5
SCHEMBL21941873 0.74 L3MBTL1 (0.42) CD38MAPK7FGFR4ACSS2
SCHEMBL20205010 0.73 FGFR4 (0.35) CD38MAPK7FGFR4CDK5CDK5R1
SCHEMBL20205014 0.72 FGFR4 (0.40) CD38MAPK7FGFR4ACSS2HDAC1
SCHEMBL21743433 0.71 MAPK7 (0.35) CD38MAPK7FGFR4ACSS2HDAC1

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-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 CD38 1747/4885MAPK7 2780/4885FGFR4 4027/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CD38 1747/4885MAPK7 2780/4885FGFR4 4027/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CD38 1747/4885MAPK7 2780/4885FGFR4 4027/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CD38 1747/4885MAPK7 2780/4885FGFR4 4027/4885

“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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