SCHEMBL6866845

SCHEMBL6866845

CN1CCC(N2CCC(n3cc(I)c4c(Cl)ncnc43)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 10/20 0.47
▸ SLC29A1 Q99808 1/20 0.43
▸ TEK Q02763 3/20 0.40
▸ LCK P06239 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ HCK P08631 2/20 0.40
▸ ERBB4 Q15303 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ DCLK1 O15075 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PAK4 O96013 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ FYN P06241 1/20 0.40

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
SCHEMBL18044685 0.95 ADK (0.51) ADKSLC29A1TEKLCKSRC
SCHEMBL2969985 0.93 ADK (0.47) ADKSLC29A1TEKLCKSRC
SCHEMBL2969987 0.93 ADK (0.47) ADKSLC29A1TEKLCKSRC
SCHEMBL6866005 0.93 ADK (0.47) ADKSLC29A1TEKLCKSRC
SCHEMBL21084208 0.92 ADK (0.48) ADKSLC29A1TEKLCKSRC
SCHEMBL20351805 0.90 ADK (0.47) ADKSLC29A1TEKLCKSRC
SCHEMBL16236581 0.88 ADK (0.49) ADKSLC29A1MTORRAB9A
SCHEMBL16236390 0.84 ADK (0.54) ADKSLC29A1LCKSRCEGFR
SCHEMBL29484542 0.84 ADK (0.54) ADKSLC29A1LCKSRCEGFR
SCHEMBL401328 0.82 ADK (0.52) ADKSLC29A1LCKSRCEGFR

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-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 — — US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 — — 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI ADK 1047/4885SLC29A1 700/4885TEK 22/4885

“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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