SCHEMBL22044148

SCHEMBL22044148

CC(C)(C)n1nc(-c2cc(C(=O)Nc3ccccc3)c[nH]2)c2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 17/20 0.63
KDR P35968 11/20 0.61
SRC P12931 2/20 0.53
ABL1 P00519 1/20 0.53
PRKD3 O94806 1/20 0.51
PRKD1 Q15139 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51

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
SCHEMBL22044022 0.85 RET (0.68) RETKDRSRCABL1
SCHEMBL22044880 0.84 RET (0.71) RETKDRSRCABL1PRKD3
SCHEMBL22044091 0.82 RET (0.62) RETKDRSRCABL1
SCHEMBL12436139 0.82 RET (0.69) RETKDRSRCABL1PRKD3
SCHEMBL22044567 0.81 RET (0.63) RETKDRSRCABL1
SCHEMBL30071217 0.78 RET (1.00) RETKDR
SCHEMBL20875066 0.78 RET (1.00) RETKDR
SCHEMBL22044095 0.78 RET (0.52) RETKDR
SCHEMBL22044152 0.77 RET (0.59) RETKDRSRCABL1PRKD3
SCHEMBL21958128 0.76 KDR (1.00) RETKDR

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.