SCHEMBL22044880

SCHEMBL22044880

CC(C)(C)n1nc(-c2ccc(C(=O)Nc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.71
KDR P35968 8/20 0.71
SRC P12931 6/20 0.68
ABL1 P00519 4/20 0.68
BTK Q06187 4/20 0.60
EGFR P00533 3/20 0.60
RIPK2 O43353 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
LCK P06239 2/20 0.60
FYN P06241 2/20 0.60
YES1 P07947 2/20 0.60
LYN P07948 2/20 0.60
PDGFRA P16234 2/20 0.60
PRKACA P17612 2/20 0.60
FRK P42685 2/20 0.60
HTT P42858 2/20 0.60
MAPK9 P45984 2/20 0.60
CSNK1A1 P48729 2/20 0.60

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
SCHEMBL12436139 0.96 RET (0.69) RETKDRSRCABL1BTK
SCHEMBL22044022 0.89 RET (0.68) RETKDRSRCABL1BTK
SCHEMBL13019817 0.85 SRC (0.73) RETKDRSRCABL1BTK
SCHEMBL22044091 0.84 RET (0.62) RETKDRSRCABL1BTK
SCHEMBL21958128 0.84 KDR (1.00) RETKDR
SCHEMBL29677844 0.84 KDR (1.00) RETKDR
SCHEMBL22044567 0.84 RET (0.63) RETKDRSRCABL1PIK3CD
SCHEMBL22044148 0.84 RET (0.63) RETKDRSRCABL1PRKD3
SCHEMBL12436138 0.83 SRC (0.64) RETKDRSRCABL1BTK
SCHEMBL12436133 0.83 SRC (0.65) RETKDRSRCABL1BTK

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 RET 597/4885KDR 1054/4885SRC 339/4885

“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.