SCHEMBL20205014

SCHEMBL20205014

Cn1cnc(NC(=O)C=S)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.40
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CD38 P28907 1/20 0.38
▸ MAPK7 Q13164 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.32
▸ MAPK8 P45983 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL28851081 0.78 L3MBTL1 (0.48) FGFR4HDAC1HDAC2CD38MAPK7
SCHEMBL27480425 0.78 MAPK7 (0.35) FGFR4HDAC1HDAC2CD38MAPK7
Hydrochloric Acid SCHEMBL9095980 0.77 TDP1 (0.35) FGFR4CD38MAPK7ACSS2CYP2C9
SCHEMBL24801406 0.74 CCNE1 (0.42) FGFR4CD38MAPK7TSHRCYP2C19
SCHEMBL21561683 0.74 CD38 (0.39) FGFR4CD38MAPK7ACSS2MAP3K5
SCHEMBL21941873 0.74 L3MBTL1 (0.42) FGFR4CD38MAPK7ACSS2CYP2C9
SCHEMBL21561704 0.72 CD38 (0.40) FGFR4HDAC1CD38MAPK7ACSS2
SCHEMBL20191038 0.72 CD38 (0.38) FGFR4HDAC1HDAC2CD38MAPK7
SCHEMBL30125665 0.70 GSK3B (0.45) FGFR4CD38MAPK7ACSS2GSK3B
SCHEMBL27342097 0.70 MEN1 (0.53) MAPK7ACSS2CYP2C9

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 6 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
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 FGFR4 4027/4885HDAC1 1981/4885HDAC2 2056/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 FGFR4 4027/4885HDAC1 1981/4885HDAC2 2056/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 FGFR4 4027/4885HDAC1 1981/4885HDAC2 2056/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 FGFR4 4027/4885HDAC1 1981/4885HDAC2 2056/4885

“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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