SCHEMBL23194444

SCHEMBL23194444

O=C(Nc1ccc(C2CCOCC2)cc1)C(=O)Nc1c[nH]c2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 14/20 0.44
▸ PRKAB2 O43741 3/20 0.39
▸ PRKAG1 P54619 3/20 0.39
▸ PRKAA2 P54646 3/20 0.39
▸ PRKAA1 Q13131 3/20 0.39
▸ PRKAG3 Q9UGI9 3/20 0.39
▸ PRKAG2 Q9UGJ0 3/20 0.39
▸ PRKAB1 Q9Y478 3/20 0.39
▸ CDK1 P06493 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 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
SCHEMBL22049359 0.92 NAMPT (0.44) NAMPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23207543 0.80 PRKAB2 (0.47) NAMPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30176010 0.76 CDK5 (0.36) NAMPTCDK1CDK5ROCK1
SCHEMBL23194437 0.76 CDK5 (0.36) NAMPTCDK1CDK5ROCK1
SCHEMBL23194463 0.73 HTR6 (0.41) NAMPTCDK5ROCK1
SCHEMBL30176056 0.73 HTR6 (0.41) NAMPTCDK5ROCK1
SCHEMBL22049599 0.72 TRPV1 (0.54) ALDH1A1
SCHEMBL22050157 0.70 CDK5 (0.46) NAMPTCDK1CDK5
SCHEMBL23195093 0.70 NPC1 (0.49) NAMPTNPC1USP2ALDH1A1HPGD
SCHEMBL23194439 0.69 TRPV1 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-05 — — US disclosed
US-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-05 — — US disclosed
WO-2021067791-A1 OXALAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 — — WO 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 (1 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-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NAMPT 2899/4885PRKAB2 158/4885PRKAG1 57/4885

“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