SCHEMBL30104023

SCHEMBL30104023

[2H]C([2H])([2H])C(n1nc(I)c2c(N)ncnc21)C([2H])([2H])[2H]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.48
ABL1 P00519 10/20 0.48
KDR P35968 9/20 0.48
PIK3CD O00329 8/20 0.48
EGFR P00533 8/20 0.48
HCK P08631 8/20 0.48
PIK3CA P42336 8/20 0.48
PIK3CB P42338 8/20 0.48
MTOR P42345 8/20 0.48
PIK3CG P48736 8/20 0.48
EPHB4 P54760 8/20 0.48
PRKDC P78527 8/20 0.48
PI4KB Q9UBF8 7/20 0.48
RET P07949 8/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
DYRK3 O43781 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL868687 0.89 ABL1 (0.58) SRCABL1KDRPIK3CDEGFR
SCHEMBL4572206 0.79 SRC (0.47) SRCABL1KDRPIK3CDEGFR
SCHEMBL4572199 0.78 SRC (0.54) SRCABL1KDRPIK3CDEGFR
SCHEMBL4572200 0.78 SRC (0.54) SRCABL1KDRPIK3CDEGFR
SCHEMBL3832435 0.76 ADK (0.49) SRCABL1KDRPIK3CDEGFR
SCHEMBL4572203 0.75 SRC (0.44) SRCABL1KDRPIK3CDEGFR
SCHEMBL15956509 0.75 SRC (0.47) SRCABL1KDRPIK3CDEGFR
SCHEMBL29503435 0.74 SRC (0.50) SRCABL1KDRPIK3CDEGFR
SCHEMBL29503436 0.74 SRC (0.50) SRCABL1KDRPIK3CDEGFR
SCHEMBL130592 0.74 SRC (0.50) SRCABL1KDRPIK3CDEGFR

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-20220380375-A1 SUBSTITUTED AROMATIC FUSED RING DERIVATIVE AND COMPOSITION COMPRISING SAME, AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2022-12-01 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-20220380375-A1 SUBSTITUTED AROMATIC FUSED RING DERIVATIVE AND COMPOSITION COMPRISING SAME, AND USE THEREOF SRC, TH, RET SRC 1/4885ABL1 10/4885KDR 245/4885

“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.