SCHEMBL30176005

SCHEMBL30176005

O=C(Nc1ccc(C2CCCCC2)nc1)C(=O)Nc1c[nH]c2ncc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.42
▸ AAK1 Q2M2I8 4/20 0.41
▸ STK17B O94768 1/20 0.41
▸ IDO1 P14902 4/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 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
SCHEMBL23194581 1.00 HSD11B1 (0.42) HSD11B1AAK1STK17BIDO1CLK1
SCHEMBL22049846 0.92 STING1 (0.42) HSD11B1AAK1STK17BIDO1CLK1
SCHEMBL23625742 0.91 STING1 (0.42) HSD11B1AAK1STK17BIDO1CLK1
SCHEMBL23207730 0.84 IDO1 (0.37) HSD11B1AAK1STK17BIDO1HDAC2
SCHEMBL23612079 0.84 STING1 (0.42) HSD11B1AAK1IDO1CLK1DYRK1A
SCHEMBL30267628 0.82 HSD11B1 (0.42) HSD11B1AAK1IDO1CLK1DYRK1A
SCHEMBL23625725 0.82 HSD11B1 (0.42) HSD11B1AAK1IDO1CLK1DYRK1A
SCHEMBL23625787 0.79 STING1 (0.41) HSD11B1AAK1IDO1CLK1DYRK1A
SCHEMBL23194437 0.79 CDK5 (0.36) PTPN2PTPN1CDK2
SCHEMBL30176010 0.79 CDK5 (0.36) PTPN2PTPN1CDK2

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 1 patent. 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

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 HSD11B1 3262/4885AAK1 1490/4885STK17B 1507/4885

“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