SCHEMBL22044547

SCHEMBL22044547

O=C(NCc1c(F)cccc1Cl)c1ccc(-c2n[nH]c3ncccc23)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
MAPK1 P28482 4/20 0.43
P2RX7 Q99572 1/20 0.43
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
POLB P06746 1/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
GRM4 Q14833 1/20 0.37
AKT3 Q9Y243 1/20 0.37

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
SCHEMBL22044886 0.87 MAPK1 (0.47) ATMMAPK1P2RX7ROCK2ROCK1
SCHEMBL22043985 0.84 MAPK1 (0.48) ATMMAPK1P2RX7LMNAALDH1A1
SCHEMBL22044046 0.83 AKT1 (0.53) ATMDYRK1ADYRK1BROCK2ROCK1
SCHEMBL22044059 0.83 MAPK1 (0.56) ATMMAPK1P2RX7ROCK2ROCK1
SCHEMBL22044052 0.81 MAPK1 (0.54) ATMMAPK1P2RX7ROCK2ROCK1
SCHEMBL22044877 0.80 MAPK1 (0.44) ATMMAPK1P2RX7LMNAALDH1A1
SCHEMBL22044457 0.79 MAPK1 (0.47) ATMMAPK1P2RX7LMNAALDH1A1
SCHEMBL22043995 0.79 MAPK1 (0.49) ATMMAPK1P2RX7ROCK2ROCK1
SCHEMBL22044088 0.74 ATM (0.43) ATMLMNADYRK1ADYRK1BROCK2
SCHEMBL3351246 0.73 HDAC1 (0.40) DYRK1ADYRK1B

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 3850/4885MAPK1 3146/4885P2RX7 3684/4885

“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.