SCHEMBL22050235

SCHEMBL22050235

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 11/20 0.42
▸ CDK5 Q00535 4/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNE1 P24864 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL22049597 0.92 STING1 (0.42) STING1CDK5CDK1CCNE1CDK2
SCHEMBL23194437 0.92 CDK5 (0.36) STING1CDK5CDK1CCNE1CDK2
SCHEMBL30176010 0.92 CDK5 (0.36) STING1CDK5CDK1CCNE1CDK2
SCHEMBL22050711 0.84 CAMKK1 (0.42) STING1CDK5CDK1CCNE1CDK2
SCHEMBL22049600 0.82 STING1 (0.40) STING1CDK5CCNE1CDK2POLB
SCHEMBL22050157 0.80 CDK5 (0.46) CDK5CDK1CCNE1CDK2
SCHEMBL22049846 0.79 STING1 (0.42) STING1
SCHEMBL22049734 0.78 GAA (0.57) POLB
SCHEMBL23625742 0.78 STING1 (0.42) STING1
SCHEMBL22050192 0.77 CLK2 (0.54) STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 — — WO disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — WO disclosed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 — — 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 (2 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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 STING1 1/4885CDK5 3271/4885CDK1 2756/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 STING1 1/4885CDK5 4691/4885CDK1 3734/4885

“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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