SCHEMBL21561683

SCHEMBL21561683

CCC(=O)Nc1cn(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ MAPK7 Q13164 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ CDK5 Q00535 3/20 0.38
▸ CDK5R1 Q15078 3/20 0.38
▸ ADORA3 P0DMS8 7/20 0.38
▸ ADORA2A P29274 4/20 0.38
▸ ADORA1 P30542 4/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL20191038 0.84 CD38 (0.38) CD38ACSS2MAP3K5MAPK7FGFR4
SCHEMBL21561704 0.84 CD38 (0.40) CD38ACSS2MAPK7FGFR4CDK5
SCHEMBL21561703 0.82 ALDH1A1 (0.38) CD38HSD17B10ACSS2MAP3K5MAPK7
Iodoacetamide SCHEMBL21543916 0.79 CD38 (0.35) CD38HSD17B10ACSS2MAP3K5MAPK7
SCHEMBL24801406 0.75 CCNE1 (0.42) CD38MAPK7FGFR4CDK5ADORA3
SCHEMBL21941873 0.75 L3MBTL1 (0.42) CD38ACSS2MAPK7FGFR4ADORA1
SCHEMBL20205010 0.75 FGFR4 (0.35) CD38HSD17B10ACSS2MAPK7FGFR4
SCHEMBL20205014 0.74 FGFR4 (0.40) CD38ACSS2MAP3K5MAPK7FGFR4
SCHEMBL12964153 0.72 HPGDS (0.44) RAB9AMAPK1KDM4EALDH1A1
SCHEMBL20438538 0.72 KDM5A (0.40) —

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 4 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

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 1747/4885HSD17B10 803/4885ACSS2 952/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 CD38 1747/4885HSD17B10 803/4885ACSS2 952/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CD38 1747/4885HSD17B10 803/4885ACSS2 952/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 CD38 1747/4885HSD17B10 803/4885ACSS2 952/4885

“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.

Send feedback