SCHEMBL20205010

SCHEMBL20205010

Cn1cnc(NC(=O)CSCC=N)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ PKM P14618 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CD38 P28907 1/20 0.33
▸ MAPK7 Q13164 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CDK5 Q00535 3/20 0.32
▸ CDK5R1 Q15078 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL21561703 0.83 ALDH1A1 (0.38) FGFR4TDP1ALDH1A1PKMRAB9A
SCHEMBL21561683 0.75 CD38 (0.39) FGFR4ALDH1A1RAB9ACD38MAPK7
SCHEMBL21561704 0.73 CD38 (0.40) FGFR4CD38MAPK7CDK5CDK5R1
SCHEMBL20191038 0.73 CD38 (0.38) FGFR4TDP1ALDH1A1CD38MAPK7
SCHEMBL28851081 0.69 L3MBTL1 (0.48) FGFR4ALDH1A1CD38MAPK7HTT
Iodoacetamide SCHEMBL21543916 0.69 CD38 (0.35) FGFR4TDP1ALDH1A1CD38MAPK7
SCHEMBL20205014 0.67 FGFR4 (0.40) FGFR4CD38MAPK7CYP2C19ACSS2
SCHEMBL21561647 0.67 RAB9A (0.59) ALDH1A1RAB9AHSD17B10KMT2APOLB
SCHEMBL24801406 0.65 CCNE1 (0.42) FGFR4ALDH1A1RAB9ACD38MAPK7
SCHEMBL21941873 0.65 L3MBTL1 (0.42) FGFR4ALDH1A1RAB9ACD38MAPK7

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-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
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 (1 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-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 FGFR4 4027/4885TDP1 3437/4885ALDH1A1 1092/4885

“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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