SCHEMBL21561703

SCHEMBL21561703

CCSCC(=O)Nc1cn(C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FGFR4 P22455 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CD38 P28907 1/20 0.35
▸ ACSS2 Q9NR19 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK7 Q13164 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL20205010 0.83 FGFR4 (0.35) ALDH1A1HSD17B10FGFR4TDP1CD38
SCHEMBL21561683 0.82 CD38 (0.39) ALDH1A1HSD17B10FGFR4CD38ACSS2
SCHEMBL21561704 0.78 CD38 (0.40) FGFR4CD38ACSS2MAPK7CDK5
SCHEMBL20191038 0.78 CD38 (0.38) ALDH1A1FGFR4TDP1CD38ACSS2
Iodoacetamide SCHEMBL21543916 0.73 CD38 (0.35) ALDH1A1HSD17B10FGFR4TDP1CD38
SCHEMBL24801406 0.69 CCNE1 (0.42) ALDH1A1FGFR4CD38LMNAMAPK7
SCHEMBL21941873 0.69 L3MBTL1 (0.42) ALDH1A1FGFR4CD38ACSS2MAPK7
SCHEMBL20205014 0.68 FGFR4 (0.40) FGFR4CD38ACSS2MAPK7MAP3K5
SCHEMBL21743433 0.67 MAPK7 (0.35) FGFR4CD38ACSS2MAPK7
SCHEMBL27480425 0.66 MAPK7 (0.35) FGFR4TDP1CD38ACSS2MAPK7

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-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-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 (2 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 ALDH1A1 1092/4885HSD17B10 803/4885FGFR4 4027/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 ALDH1A1 1092/4885HSD17B10 803/4885FGFR4 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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