SCHEMBL30455810

SCHEMBL30455810

Nc1ncnc2c1c(-c1cc3ccccc3[nH]1)nn2C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 1.00
KDR P35968 10/20 1.00
PIK3CD O00329 6/20 0.64
PIK3CA P42336 4/20 0.64
PIK3CB P42338 4/20 0.64
PIK3CG P48736 4/20 0.64
PRKDC P78527 4/20 0.64
SRC P12931 5/20 0.62
ABL1 P00519 4/20 0.62
EGFR P00533 4/20 0.62
HCK P08631 3/20 0.62
MTOR P42345 3/20 0.62
EPHB4 P54760 3/20 0.62
PI4KB Q9UBF8 1/20 0.60
BTK Q06187 1/20 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
SCHEMBL19463767 1.00 RET (1.00) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL6940447 0.97 RET (0.94) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL19492187 0.91 RET (0.83) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL16655548 0.88 RET (0.78) RETKDRPIK3CDSRCABL1
SCHEMBL12422336 0.87 PIK3CD (0.82) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL19463360 0.87 RET (1.00) RETKDRPIK3CDSRCABL1
SCHEMBL30455306 0.86 RET (1.00) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL12422304 0.86 PIK3CD (0.84) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL19492101 0.86 RET (1.00) RETKDRPIK3CDPIK3CAPIK3CB
SCHEMBL19492253 0.86 RET (1.00) RETKDRPIK3CDPIK3CAPIK3CG

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 793/4885PIK3CD 372/4885
US-20240116938-A1 Heterocyclic Compounds as RET Kinase Inhibitors RET, HIPK4, HIPK3 RET 1/4885KDR 793/4885PIK3CD 372/4885

“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.