SCHEMBL22044527

SCHEMBL22044527

O=C(NCc1c(Cl)cccc1Cl)c1c[nH]c(-c2n[nH]c3ncccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.52
MAPK3 P27361 6/20 0.42
MAPK7 Q13164 3/20 0.41
MAPK14 Q16539 1/20 0.41
NPC1 O15118 1/20 0.39
DYRK1B Q9Y463 1/20 0.38
BRD4 O60885 1/20 0.38
ADORA2A P29274 1/20 0.38
ITK Q08881 1/20 0.37
LMNA P02545 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
SCHEMBL22044457 0.94 MAPK1 (0.47) MAPK1MAPK3MAPK7MAPK14LMNA
SCHEMBL22044081 0.90 MAPK1 (0.53) MAPK1MAPK3
SCHEMBL22043999 0.89 ROCK2 (0.45) MAPK1MAPK3MAPK7MAPK14ADORA2A
SCHEMBL22044554 0.88 MAPK1 (0.55) MAPK1MAPK3MAPK7MAPK14NPC1
SCHEMBL22044458 0.88 WDR5 (0.46) MAPK1MAPK3NPC1LMNA
SCHEMBL5536603 0.88 TSHR (0.51) MAPK1MAPK3NPC1ADORA2AITK
SCHEMBL5537482 0.86 ADORA2A (0.52) MAPK1MAPK3MAPK7DYRK1BADORA2A
SCHEMBL22044004 0.84 ADORA2A (0.43) MAPK1MAPK3MAPK7ADORA2AITK
SCHEMBL22044077 0.84 KDM4E (0.51) MAPK1MAPK14NPC1LMNA
SCHEMBL22044085 0.84 ROCK2 (0.47) MAPK1MAPK3

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 1726/4885MAPK7 1384/4885

“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.