SCHEMBL2969987

SCHEMBL2969987

CN1CCN([C@H]2CC[C@@H](n3cc(I)c4c(Cl)ncnc43)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.47
▸ TEK Q02763 6/20 0.47
▸ SRC P12931 6/20 0.47
▸ LCK P06239 5/20 0.47
▸ KDR P35968 4/20 0.47
▸ HCK P08631 3/20 0.47
▸ BTK Q06187 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ ERBB2 P04626 2/20 0.47
▸ ERBB4 Q15303 2/20 0.47
▸ RET P07949 2/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ NTRK1 P04629 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
SCHEMBL6866005 1.00 ADK (0.47) ADKTEKSRCLCKKDR
SCHEMBL2969985 1.00 ADK (0.47) ADKTEKSRCLCKKDR
SCHEMBL6866845 0.93 ADK (0.47) ADKTEKSRCLCKKDR
SCHEMBL21084208 0.90 ADK (0.48) ADKTEKSRCLCKKDR
SCHEMBL18044685 0.90 ADK (0.51) ADKTEKSRCLCKKDR
SCHEMBL16236390 0.87 ADK (0.54) ADKSRCLCKKDREGFR
SCHEMBL29484542 0.87 ADK (0.54) ADKSRCLCKKDREGFR
SCHEMBL4721622 0.85 SRC (0.59) ADKTEKSRCLCKKDR
SCHEMBL6866172 0.85 SRC (0.59) ADKTEKSRCLCKKDR
SCHEMBL20351805 0.85 ADK (0.47) ADKTEKSRCLCKKDR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 — — EP disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 — — US disclosed
EP-1973917-A2 PROTEIN KINASE INHIBITORS Abbott Laboratories (US) 2008-10-01 — — EP disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 — — US disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 — — WO disclosed
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 (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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI ADK 1047/4885TEK 22/4885SRC 206/4885
US-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 ADK 249/4885TEK 2644/4885SRC 106/4885

“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.

Send feedback