SCHEMBL27000783

SCHEMBL27000783

C[C@@H]1CCCN1c1cc(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 11/20 0.48
▸ ATRIP Q8WXE1 11/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ ROCK2 O75116 3/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL27000319 0.86 ATR (0.64) ATRATRIP
SCHEMBL26998091 0.85 ROCK2 (0.43) ATRATRIPNTRK1ROCK2
SCHEMBL26999057 0.85 ATR (0.39) ATRATRIPNTRK1ROCK2PIM1
SCHEMBL26998358 0.85 ATR (0.38) ATRATRIPNTRK1ROCK2
SCHEMBL27001067 0.84 ATR (0.43) ATRATRIPROCK2
SCHEMBL27000901 0.84 ATR (0.41) ATRATRIPNTRK1ROCK2
SCHEMBL27000875 0.82 ATR (0.43) ATRATRIPROCK2
SCHEMBL27000900 0.82 ATR (0.43) ATRATRIPROCK2
SCHEMBL27000337 0.82 ATR (0.38) ATRATRIPROCK2
SCHEMBL26737539 0.80 PDPK1 (0.39) ATRPDPK1TGFBR1AURKBEGLN2

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 734/4885HRH3 994/4885

“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.

Send feedback