SCHEMBL21988042

SCHEMBL21988042

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1c[nH]c2ncc(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.58
▸ BRAF P15056 2/20 0.55
▸ EPHX2 P34913 1/20 0.50
▸ AAK1 Q2M2I8 1/20 0.49
▸ TRPV1 Q8NER1 2/20 0.47
▸ RIPK1 Q13546 3/20 0.46
▸ IGF1R P08069 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ GRIK1 P39086 1/20 0.44

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
SCHEMBL21988041 0.87 STING1 (0.59) STING1BRAFEPHX2AAK1TRPV1
SCHEMBL22049377 0.86 STING1 (0.58) STING1BRAFEPHX2AAK1TRPV1
SCHEMBL22049592 0.86 STING1 (0.61) STING1BRAFEPHX2AAK1TRPV1
SCHEMBL30885403 0.86 BRAF (0.52) STING1BRAFTRPV1RAB9A
SCHEMBL21988104 0.84 STING1 (0.55) STING1BRAFEPHX2AAK1TRPV1
SCHEMBL22049376 0.84 AAK1 (0.64) STING1BRAFAAK1TRPV1RIPK1
SCHEMBL21988113 0.84 STING1 (0.55) STING1BRAFEPHX2AAK1TRPV1
SCHEMBL22049581 0.84 STING1 (0.55) STING1BRAFEPHX2AAK1TRPV1
SCHEMBL21988120 0.84 STING1 (0.55) STING1BRAFEPHX2AAK1TRPV1
SCHEMBL22049748 0.84 STING1 (0.55) STING1BRAFEPHX2AAK1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004785-A Compounds and compositions for the treatment of diseases associated with STING activity 诺华制药股份有限公司 2025-05-16 — — CN disclosed
CN-112823036-B Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-11-08 — — CN disclosed
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2024-03-14 — — US disclosed
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity IFM DUE, INC. (US) 2023-04-04 — — US disclosed
WO-2022140403-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140387-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140397-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140410-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
CN-112823036-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2021-05-18 — — CN disclosed
EP-3817820-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2021-05-12 — — EP 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
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 (4 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 1/4885BRAF 369/4885EPHX2 1579/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 STING1 1/4885BRAF 884/4885EPHX2 2928/4885
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity STING1, IRF3, CGAS STING1 1/4885BRAF 378/4885EPHX2 1315/4885
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 STING1 1/4885BRAF 369/4885EPHX2 1579/4885

“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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