SCHEMBL22044571

SCHEMBL22044571

O=C(NCc1c(F)cccc1Cl)c1csc(-c2c[nH]c3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 10/20 0.46
▸ ROCK1 Q13464 5/20 0.46
▸ ATM Q13315 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MAPK14 Q16539 1/20 0.40
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALDH2 P05091 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL22044887 0.86 ROCK2 (0.46) ROCK2ROCK1ATMMAPK14MAPK1
SCHEMBL22044096 0.84 ROCK2 (0.53) ROCK2ROCK1MAPK14ITGB2ICAM1
SCHEMBL22044875 0.83 ROCK2 (0.48) ROCK2ROCK1ATMMAPK14ITGB2
SCHEMBL22044473 0.83 ROCK2 (0.52) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL22044088 0.83 ATM (0.43) ROCK2ROCK1ATMITGB2ICAM1
SCHEMBL22044531 0.82 MAPK1 (0.55) ROCK2ROCK1ATMMAPK1KLKB1
SCHEMBL22044080 0.82 ROCK2 (0.47) ROCK2ROCK1ATMMAPK14ITGB2
SCHEMBL22044153 0.78 MAPK14 (0.42) ROCK2ROCK1ATMMAPK14ITGB2
SCHEMBL22043979 0.77 MAPK1 (0.51) ROCK2ROCK1ATMMAPK1KLKB1
SCHEMBL22044530 0.75 MAPK1 (0.60) MAPK1

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 ROCK2 1660/4885ROCK1 1252/4885ATM 3850/4885

“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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