SCHEMBL18347997

SCHEMBL18347997

CC(C)C(=O)N1C[C@H]2C[C@@H]1CN2C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
VNN1 O95497 1/20 0.38
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HSD11B1 P28845 2/20 0.31
DPP4 P27487 3/20 0.30
DPP8 Q6V1X1 3/20 0.30
DPP9 Q86TI2 3/20 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
SCHEMBL19869628 1.00 PIK3CD (0.44) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL18347996 1.00 PIK3CD (0.44) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL14376293 1.00 PIK3CD (0.44) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL22916981 0.90 PIK3CD (0.52) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25514814 0.90 PIK3CD (0.52) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL15451852 0.87 VNN1 (0.34) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL18348016 0.85 PIK3CD (0.41) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL23011816 0.82 PIK3CD (0.46) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21963795 0.82 PIK3CD (0.46) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21963809 0.82 PIK3CD (0.46) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3

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-20230041738-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 US disclosed
WO-2021154668-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO disclosed
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US disclosed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-10-17 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 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-20230041738-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 PIK3CD 1103/4885CHRNB2 3299/4885CHRNA3 2304/4885
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME VNN1, DPYD, MVD PIK3CD 2650/4885CHRNB2 3154/4885CHRNA3 2983/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD PIK3CD 2714/4885CHRNB2 3385/4885CHRNA3 3122/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 PIK3CD 280/4885CHRNB2 3111/4885CHRNA3 3287/4885

“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.