SCHEMBL27001067

SCHEMBL27001067

C[C@@H]1[C@@H](O)CCN1c1cc(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 9/20 0.43
▸ ATRIP Q8WXE1 8/20 0.43
▸ ROCK2 O75116 7/20 0.35
▸ PIK3R2 O00459 1/20 0.34
▸ AR P10275 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ ROCK1 Q13464 1/20 0.32

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
SCHEMBL26999180 0.87 ATR (0.38) ATRATRIPROCK2PIK3R2PIK3CA
SCHEMBL26998538 0.86 ATR (0.38) ATRATRIPROCK2PIK3R2ROCK1
SCHEMBL27000783 0.84 ATR (0.48) ATRATRIPROCK2
SCHEMBL26998294 0.83 ATR (0.39) ATRATRIPROCK2PIK3CAROCK1
SCHEMBL26998300 0.83 ATR (0.39) ATRATRIPROCK2PIK3CAROCK1
SCHEMBL27000875 0.83 ATR (0.43) ATRATRIPROCK2PIK3CAROCK1
SCHEMBL27000319 0.81 ATR (0.64) ATRATRIP
SCHEMBL27000760 0.80 PRKAB2 (0.39) ATRATRIPROCK2PIK3R2
SCHEMBL26998091 0.80 ROCK2 (0.43) ATRATRIPROCK2
SCHEMBL27000337 0.78 ATR (0.38) ATRATRIPROCK2PIK3R2ROCK1

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-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 — — 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ATR 277/4885ATRIP 734/4885ROCK2 1771/4885

“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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