SCHEMBL17522201

SCHEMBL17522201

CC(=O)N1CC[C@@H](CC(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL17522199 1.00 PIK3CD (0.43) PIK3CDALDH1A1MEN1KMT2ADPP4
SCHEMBL17522138 1.00 PIK3CD (0.43) PIK3CDALDH1A1MEN1KMT2ADPP4
SCHEMBL13509602 0.89 PIK3CD (0.41) PIK3CDALDH1A1MEN1KMT2ADPP4
SCHEMBL104002 0.89 PIK3CD (0.50) PIK3CDALDH1A1MEN1KMT2AKCNH2
SCHEMBL21166543 0.84 DPP4 (0.41) PIK3CDMEN1KMT2ADPP4DPP8
SCHEMBL21166534 0.84 DPP4 (0.41) PIK3CDMEN1KMT2ADPP4DPP8
SCHEMBL19229732 0.84 PIK3CD (0.44) PIK3CDALDH1A1
SCHEMBL24449787 0.84 DPP4 (0.40) ALDH1A1MEN1KMT2ADPP4DPP8
SCHEMBL29317016 0.84 PIK3CD (0.42) PIK3CDMEN1KMT2ADPP8DPP7
SCHEMBL15576298 0.84 DPP4 (0.43) ALDH1A1MEN1KMT2ADPP4DPP8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 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-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-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 PIK3CD 60/4885ALDH1A1 3719/4885MEN1 3268/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC PIK3CD 60/4885ALDH1A1 3719/4885MEN1 3268/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 PIK3CD 252/4885ALDH1A1 1763/4885MEN1 2601/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC PIK3CD 60/4885ALDH1A1 3719/4885MEN1 3268/4885

“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.