SCHEMBL25636706

SCHEMBL25636706

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.35
▸ MAP3K8 P41279 7/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ EGFR P00533 5/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ SRC P12931 4/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ PRKACA P17612 2/20 0.30
▸ PRKACG P22612 2/20 0.30
▸ PRKACB P22694 2/20 0.30
▸ KHK P50053 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ MAPKAPK2 P49137 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL22301636 0.82 CYP11B2 (0.35) CYP11B2MAP3K8CYP11B1CSNK1A1CLK4
SCHEMBL30721099 0.82 CYP11B2 (0.35) CYP11B2MAP3K8CYP11B1CSNK1A1CLK4
SCHEMBL19889982 0.80 KHK (0.36) CYP11B2MAP3K8CYP11B1CSNK1A1CLK4
SCHEMBL19877781 0.77 CYP11B2 (0.41) CYP11B2MAP3K8CYP11B1CSNK1A1CLK4
SCHEMBL20570729 0.76 MAP3K8 (0.32) CYP11B2MAP3K8EGFRERBB2
SCHEMBL19889983 0.74 CYP11B2 (0.38) CYP11B2MAP3K8CYP11B1CSNK1A1CLK4
SCHEMBL19877263 0.72 CYP11B2 (0.35) CYP11B2MAP3K8CYP11B1CSNK1A1CLK4
SCHEMBL19877026 0.72 CYP11B2 (0.36) CYP11B2MAP3K8CYP11B1CSNK1A1CLK4
SCHEMBL23899093 0.71 SRC (0.37) CYP11B2MAP3K8CSNK1A1CLK4EGFR
SCHEMBL19877112 0.71 CSNK1A1 (0.32) CYP11B2MAP3K8CSNK1A1CLK4EGFR

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-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE SHANGHAI RINGENE THERAPEUTICS CO. LTD (CN) 2023-06-08 — — 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-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE KRAS, NRAS, HRAS CYP11B2 62/4885MAP3K8 159/4885CYP11B1 74/4885

“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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