SCHEMBL22044027

SCHEMBL22044027

O=C(NCc1c(F)cccc1Cl)c1csc(-c2cnc3cccnn23)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.42
▸ ROCK2 O75116 9/20 0.42
▸ KLKB1 P03952 2/20 0.42
▸ ROCK1 Q13464 5/20 0.42
▸ ATM Q13315 1/20 0.41
▸ ABL1 P00519 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ STING1 Q86WV6 1/20 0.37
▸ MARK3 P27448 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL22044016 0.86 FYN (0.49) METROCK2KLKB1ROCK1ATM
SCHEMBL22044158 0.86 ROCK2 (0.47) METROCK2KLKB1ROCK1ATM
SCHEMBL22044078 0.85 KLKB1 (0.46) METROCK2KLKB1ROCK1ATM
SCHEMBL22044491 0.84 ATM (0.43) METROCK2KLKB1ROCK1ATM
SCHEMBL22044907 0.83 ROCK2 (0.45) METROCK2KLKB1ROCK1ATM
SCHEMBL22044909 0.83 ROCK2 (0.44) METROCK2KLKB1ROCK1ATM
SCHEMBL22044908 0.82 ROCK2 (0.45) METROCK2KLKB1ROCK1ATM
SCHEMBL22044874 0.79 ABL1 (0.43) ABL1BCRLMNAL3MBTL1
SCHEMBL22044497 0.79 MLYCD (0.48) ROCK2ABL1BCRMAPK1
SCHEMBL22044160 0.79 MET (0.42) METROCK2KLKB1ROCK1ATM

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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 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 (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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 MET 299/4885ROCK2 1660/4885KLKB1 4358/4885

“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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