SCHEMBL22044554

SCHEMBL22044554

O=C(NCc1cccc(Cl)c1)c1c[nH]c(-c2n[nH]c3ncccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
MAPK3 P27361 1/20 0.55
NPC1 O15118 2/20 0.54
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
RPS6KB1 P23443 1/20 0.44
ROCK2 O75116 3/20 0.44
MAPK7 Q13164 1/20 0.43
MAPK14 Q16539 1/20 0.43
BRD4 O60885 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
WDR5 P61964 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL5536603 0.90 TSHR (0.51) MAPK1MAPK3NPC1LMNAPOLB
SCHEMBL5537482 0.89 ADORA2A (0.52) MAPK1MAPK3LMNARPS6KB1ROCK2
SCHEMBL22044085 0.88 ROCK2 (0.47) MAPK1MAPK3RPS6KB1ROCK2ROCK1
SCHEMBL22044073 0.88 POLB (0.47) MAPK1MAPK3NPC1LMNAPOLB
SCHEMBL22044458 0.88 WDR5 (0.46) MAPK1MAPK3NPC1LMNAROCK2
SCHEMBL22044872 0.88 NAMPT (0.44) MAPK1MAPK3NPC1RPS6KB1ROCK2
SCHEMBL22044009 0.88 MMP13 (0.47) MAPK1MAPK3NPC1LMNAROCK2
SCHEMBL22044527 0.88 MAPK1 (0.52) MAPK1MAPK3NPC1LMNAMAPK7
SCHEMBL22044851 0.86 MEN1 (0.52) LMNARPS6KB1ROCK2MAPK14MEN1
SCHEMBL22044474 0.86 ROCK2 (0.49) MAPK1MAPK3ROCK2ROCK1

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 MAPK1 3146/4885MAPK3 1726/4885NPC1 2933/4885

“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.