SCHEMBL22044114

SCHEMBL22044114

O=C(NCc1c(F)cccc1Cl)c1ccc(-c2nnc3ccccn23)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KLKB1 P03952 2/20 0.42
▸ P2RX7 Q99572 3/20 0.41
▸ ROCK2 O75116 5/20 0.40
▸ ROCK1 Q13464 5/20 0.40
▸ MET P08581 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK14 Q16539 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
SCHEMBL22044115 0.84 KLKB1 (0.43) ATMSMN1; SMN2RAB9AKLKB1P2RX7
SCHEMBL22044032 0.83 ATM (0.47) ATMSMN1; SMN2RAB9AKLKB1P2RX7
SCHEMBL22044981 0.82 KLKB1 (0.50) ATMSMN1; SMN2RAB9AKLKB1P2RX7
SCHEMBL22044885 0.80 ROCK2 (0.49) ATMSMN1; SMN2RAB9AKLKB1P2RX7
SCHEMBL22044595 0.79 ATM (0.48) ATMSMN1; SMN2RAB9AKLKB1P2RX7
SCHEMBL22044097 0.79 ATM (0.46) ATMSMN1; SMN2RAB9AKLKB1P2RX7
SCHEMBL22044031 0.78 ATM (0.47) ATMSMN1; SMN2RAB9AKLKB1P2RX7
SCHEMBL22044154 0.75 MET (0.41) ATMRAB9AKLKB1P2RX7ROCK2
SCHEMBL22044160 0.74 MET (0.42) ATMRAB9AKLKB1P2RX7ROCK2
SCHEMBL22044048 0.73 MAPK1 (0.48) ATMKLKB1P2RX7ROCK2ROCK1

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 ATM 3850/4885SMN1; SMN2 4144/4885RAB9A 51/4885

“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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