SCHEMBL22301636

SCHEMBL22301636

N#Cc1cnc2c(F)c(Br)c(Cl)cc2c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.35
▸ MAP3K8 P41279 10/20 0.33
▸ EGFR P00533 6/20 0.32
▸ SRC P12931 5/20 0.32
▸ MAPKAPK2 P49137 3/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ LCK P06239 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ ERBB2 P04626 1/20 0.31
▸ KHK P50053 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ PRKACG P22612 1/20 0.30

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
SCHEMBL30721099 1.00 CYP11B2 (0.35) CYP11B2MAP3K8EGFRSRCMAPKAPK2
SCHEMBL20570729 0.92 MAP3K8 (0.32) CYP11B2MAP3K8EGFRERBB2
SCHEMBL20571102 0.86 MAP3K8 (0.34) CYP11B2MAP3K8EGFRSRCMAPKAPK2
SCHEMBL25636706 0.82 CYP11B2 (0.35) CYP11B2MAP3K8EGFRSRCMAPKAPK2
SCHEMBL19889982 0.80 KHK (0.36) CYP11B2MAP3K8EGFRSRCMAPKAPK2
SCHEMBL28652978 0.79 CSNK2A1 (0.35) —
SCHEMBL19877263 0.78 CYP11B2 (0.35) CYP11B2MAP3K8EGFRSRCMAPKAPK2
SCHEMBL19877026 0.78 CYP11B2 (0.36) CYP11B2MAP3K8EGFRSRCMAPKAPK2
SCHEMBL23899093 0.77 SRC (0.37) CYP11B2MAP3K8EGFRSRCMAPKAPK2
SCHEMBL19877781 0.77 CYP11B2 (0.41) CYP11B2MAP3K8EGFRSRCMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563323-B Benzothiazolyl biaryl compound, preparation method and application 上海凌达生物医药有限公司 2023-12-01 — — CN disclosed
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE SHANGHAI RINGENE THERAPEUTICS CO. LTD (CN) 2023-06-08 — — US disclosed
EP-4144732-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2023-03-08 — — EP disclosed
WO-2021218110-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE 上海凌达生物医药有限公司 2021-11-04 — — WO disclosed
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer ARAXES PHARMA LLC (US) 2020-08-11 — — US disclosed
CN-110869357-A Compounds and methods of use thereof for treating cancer 亚瑞克西斯制药公司 2020-03-06 — — CN 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-10736897-B2 Compounds and methods of use thereof for treatment of cancer KRAS, NRAS, HRAS CYP11B2 1367/4885MAP3K8 1192/4885EGFR 97/4885
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE KRAS, NRAS, HRAS CYP11B2 62/4885MAP3K8 159/4885EGFR 373/4885

“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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