SCHEMBL17524748

SCHEMBL17524748

C=CC(=O)NC1CSCC1NC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL17371299 0.87 NPSR1 (0.38) TSHRKMT2ANPSR1ALDH1A1MAPK1
SCHEMBL23653379 0.83 ALDH1A1 (0.30) TSHRALDH1A1MAPK1TDP1
SCHEMBL17522180 0.82 TSHR (0.41) TSHRKMT2ANPSR1TAS1R3TAS1R1
SCHEMBL16123245 0.82 TSHR (0.37) TSHRTAS1R3TAS1R1
SCHEMBL21166531 0.76 TAS1R3 (0.33) TAS1R3TAS1R1
SCHEMBL18972296 0.74 FGFR4 (0.39) TSHRALDH1A1MAPK1TDP1TAS1R3
SCHEMBL21166502 0.74 TAS1R3 (0.31) TAS1R3TAS1R1
SCHEMBL17524687 0.73 FGFR4 (0.40) TSHRKMT2AALDH1A1MAPK1TDP1
SCHEMBL17524718 0.73 TSHR (0.33) TSHRALDH1A1MAPK1TDP1
SCHEMBL17524681 0.73 FGFR4 (0.40) TSHRKMT2AALDH1A1MAPK1TDP1

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-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 US disclosed
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 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-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TSHR 4378/4885KMT2A 2523/4885NPSR1 4554/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TSHR 4378/4885KMT2A 2523/4885NPSR1 4554/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK TSHR 3723/4885KMT2A 1680/4885NPSR1 4349/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC TSHR 4378/4885KMT2A 2523/4885NPSR1 4554/4885

“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.