SCHEMBL23194437

SCHEMBL23194437

O=C(Nc1ccc(C2CCCCC2)nc1)C(=O)Nc1c[nH]c2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ ROCK1 Q13464 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ STING1 Q86WV6 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL30176010 1.00 CDK5 (0.36) CDK5CCR2CDK1NAMPTPTPN2
SCHEMBL22050235 0.92 STING1 (0.42) CDK5CDK1CDK2CCNE1POLB
SCHEMBL22049597 0.84 STING1 (0.42) CDK5CDK1CDK2CCNE1IGF1R
SCHEMBL23207730 0.83 IDO1 (0.37) PTPN2PTPN1STING1
SCHEMBL30176005 0.79 HSD11B1 (0.42) PTPN2PTPN1CDK2
SCHEMBL23194581 0.79 HSD11B1 (0.42) PTPN2PTPN1CDK2
SCHEMBL23194444 0.76 NAMPT (0.44) CDK5CDK1NAMPTROCK1
SCHEMBL22050711 0.76 CAMKK1 (0.42) CDK5CDK1NAMPTCDK2CCNE1
SCHEMBL23194445 0.74 ADRA2A (0.38) CCR2NAMPTHTR2CPIM1PIM2
SCHEMBL30176006 0.74 ADRA2A (0.38) CCR2NAMPTHTR2CPIM1PIM2

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 2 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
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 CDK5 3271/4885CCR2 2673/4885CDK1 2756/4885

“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.

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