SCHEMBL9951080

SCHEMBL9951080

OC[C@H]1CC[C@H](n2cc(I)c3c(Cl)ncnc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 10/20 0.56
▸ SLC29A1 Q99808 1/20 0.56
▸ SRC P12931 6/20 0.39
▸ RIPK2 O43353 2/20 0.37
▸ RET P07949 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ABL1 P00519 5/20 0.36
▸ EGFR P00533 4/20 0.36
▸ ABL2 P42684 4/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ NPM1 P06748 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ LYN P07948 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDGFRB P09619 1/20 0.36

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
SCHEMBL1442815 1.00 ADK (0.56) ADKSLC29A1SRCRIPK2RET
SCHEMBL16236390 0.89 ADK (0.54) ADKSLC29A1SRCRIPK2RET
SCHEMBL29484542 0.89 ADK (0.54) ADKSLC29A1SRCRIPK2RET
SCHEMBL398110 0.88 ADK (0.57) ADKSLC29A1SRCRETMTOR
SCHEMBL398109 0.88 ADK (0.57) ADKSLC29A1SRCRETMTOR
SCHEMBL398720 0.88 ADK (0.57) ADKSLC29A1SRCRETMTOR
SCHEMBL9950833 0.85 ADK (0.55) ADKSLC29A1SRCRETMTOR
SCHEMBL9950831 0.85 ADK (0.55) ADKSLC29A1SRCRETMTOR
SCHEMBL9951321 0.85 SRC (0.53) ADKSRCRIPK2RETMTOR
SCHEMBL1442499 0.85 SRC (0.53) ADKSRCRIPK2RETMTOR

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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 — — 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 ADK 3449/4885SLC29A1 1922/4885SRC 292/4885

“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.

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