SCHEMBL22049475

SCHEMBL22049475

O=C(Nc1ccc(C2CCOCC2)nc1)Nc1c[nH]c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ STING1 Q86WV6 4/20 0.39
▸ FPR2 P25090 1/20 0.38
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR1F P30939 1/20 0.36
▸ GRM4 Q14833 1/20 0.36
▸ IDO1 P14902 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
SCHEMBL22049600 0.90 STING1 (0.40) MMP2STING1HTR1DHTR1BHTR1F
SCHEMBL22049739 0.80 MMP2 (0.42) MMP2HTR1DHTR1BHTR1F
SCHEMBL22049829 0.75 CLK2 (0.54) MMP2STING1
SCHEMBL22050711 0.75 CAMKK1 (0.42) STING1
SCHEMBL23623141 0.72 STING1 (0.56) STING1FPR2
SCHEMBL22050235 0.72 STING1 (0.42) STING1
SCHEMBL22049461 0.72 BTK (0.46) STING1GRM4
SCHEMBL22049597 0.72 STING1 (0.42) STING1
SCHEMBL23625696 0.72 MEN1 (0.38) STING1HTR1DHTR1BHTR1FIDO1
SCHEMBL22050631 0.71 STING1 (0.67) STING1FPR2MTOR

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-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
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 MMP2 4142/4885STING1 1/4885FPR2 2489/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 MMP2 2663/4885STING1 1/4885FPR2 3672/4885

“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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