SCHEMBL30104030

SCHEMBL30104030

[2H]C([2H])([2H])C(n1cc(I)c2c(Cl)ncnc21)C([2H])([2H])[2H]

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.43
SLC29A1 Q99808 1/20 0.39
CHEK1 O14757 1/20 0.35
RET P07949 4/20 0.32
KDR P35968 3/20 0.32
SRC P12931 1/20 0.32
MEN1 O00255 1/20 0.31
NR2F2 P24468 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL407871 0.89 ADK (0.46) ADKSLC29A1CHEK1RETKDR
SCHEMBL30104038 0.82 DYRK3 (0.46) ADKRETKDRSRC
SCHEMBL16236485 0.78 ADK (0.42) ADKSLC29A1CHEK1RETKDR
SCHEMBL16236551 0.77 ADK (0.41) ADKSLC29A1CHEK1RETSRC
SCHEMBL20162965 0.77 ADK (0.41) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL30037220 0.77 ADK (0.41) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL16236609 0.74 ADK (0.46) ADKSLC29A1CHEK1MEN1NR2F2
SCHEMBL3605358 0.74 ADK (0.49) ADKSLC29A1CHEK1SRCMEN1
SCHEMBL16236652 0.73 ADK (0.39) ADKSLC29A1CHEK1MEN1NR2F2
SCHEMBL20162872 0.73 ADK (0.39) ADKSLC29A1CHEK1MEN1NR2F2

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 ADK 331/4885SLC29A1 1532/4885CHEK1 934/4885

“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.