SCHEMBL22044153

SCHEMBL22044153

O=C(NCc1c(F)cccc1Cl)c1ccc(-c2c[nH]c3ccccc23)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ ROCK2 O75116 5/20 0.42
▸ ROCK1 Q13464 5/20 0.42
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 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
SCHEMBL22044875 0.84 ROCK2 (0.48) MAPK14ITGB2ICAM1ITGALROCK2
SCHEMBL22044473 0.82 ROCK2 (0.52) ITGB2ICAM1ITGALROCK2ROCK1
SCHEMBL22044048 0.81 MAPK1 (0.48) MAPK14ROCK2ROCK1ATMP2RX7
SCHEMBL22044096 0.81 ROCK2 (0.53) MAPK14ITGB2ICAM1ITGALROCK2
SCHEMBL22044088 0.79 ATM (0.43) ITGB2ICAM1ITGALROCK2ROCK1
SCHEMBL22044080 0.78 ROCK2 (0.47) MAPK14ITGB2ICAM1ITGALROCK2
SCHEMBL22044571 0.78 ROCK2 (0.46) MAPK14ITGB2ICAM1ITGALROCK2
SCHEMBL22044877 0.74 MAPK1 (0.44) MAPK14ROCK2ROCK1ATMLMNA
SCHEMBL22044115 0.73 KLKB1 (0.43) ROCK2ROCK1ATMRAB9AP2RX7
SCHEMBL12852335 0.72 POLB (0.63) MAPK14ROCK2ROCK1ATMLMNA

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 MAPK14 1593/4885ITGB2 4830/4885ICAM1 4560/4885

“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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