SCHEMBL30455250

SCHEMBL30455250

Nc1ncnc2c1cnn2[C@H]1CC[C@H](N2CCOCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.49
KDR P35968 2/20 0.49
EGFR P00533 3/20 0.48
BTK Q06187 1/20 0.48
AKT1 P31749 2/20 0.44
AKT2 P31751 2/20 0.44
IGF1R P08069 9/20 0.42
SIGMAR1 Q99720 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ERBB2 P04626 2/20 0.42
ERBB3 P21860 1/20 0.41
ERBB4 Q15303 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL29886844 0.88 EGFR (0.50) RETEGFRBTKAKT1AKT2
SCHEMBL30041613 0.86 EGFR (0.55) RETKDREGFRBTKAKT1
SCHEMBL20744975 0.86 EGFR (0.55) RETKDREGFRBTKAKT1
SCHEMBL5817230 0.85 LCK (0.51) RETKDREGFRBTKAKT1
SCHEMBL30465997 0.82 HRH3 (0.43) RETKDR
SCHEMBL30164318 0.81 EGFR (0.47) RETKDREGFRBTKAKT1
SCHEMBL21807058 0.81 EGFR (0.59) RETKDREGFRBTKAKT1
SCHEMBL29617733 0.81 EGFR (0.59) RETKDREGFRBTKAKT1
SCHEMBL19362509 0.81 EGFR (0.59) RETKDREGFRBTKAKT1
SCHEMBL31113352 0.80 EGFR (0.48) RETKDREGFRBTKAKT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116938-A1 Heterocyclic Compounds as RET Kinase Inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-04-11 US disclosed
US-11661423-B2 Heterocyclic compounds as RET kinase inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-05-30 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 (2 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-11661423-B2 Heterocyclic compounds as RET kinase inhibitors RET, HIPK4, HIPK3 RET 1/4885KDR 793/4885EGFR 171/4885
US-20240116938-A1 Heterocyclic Compounds as RET Kinase Inhibitors RET, HIPK4, HIPK3 RET 1/4885KDR 793/4885EGFR 171/4885

“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.