SCHEMBL6434189

SCHEMBL6434189

CCN(CC)CCC(=O)N1CCC(n2nc(-c3ccc(N(OC(C)=O)C(=O)Nc4cccc(C)c4)c(F)c3)c3c(N)ncnc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.46
▸ EGFR P00533 9/20 0.43
▸ LCK P06239 6/20 0.42
▸ AURKA O14965 1/20 0.42
▸ IKBKE Q14164 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ BTK Q06187 7/20 0.41
▸ ITK Q08881 2/20 0.41
▸ KIT P10721 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 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
Acetic Acid SCHEMBL6434178 0.86 LCK (0.50) SRCEGFRLCKAURKAIKBKE
SCHEMBL6435218 0.85 LCK (0.56) SRCEGFRLCKBTKKDR
SCHEMBL6433907 0.78 LCK (0.58) SRCEGFRLCKBTKITK
SCHEMBL6433496 0.77 LCK (0.56) SRCEGFRLCKBTKKDR
SCHEMBL6433491 0.77 LCK (0.56) SRCEGFRLCKBTKKDR
SCHEMBL6430319 0.77 LCK (0.49) SRCEGFRLCKAURKAIKBKE
SCHEMBL6430834 0.77 LCK (0.53) SRCEGFRLCKAURKAIKBKE
Acetic Acid SCHEMBL5802136 0.76 BTK (0.67) SRCEGFRLCKBTKITK
SCHEMBL6634665 0.76 BTK (0.68) SRCEGFRLCKBTKITK
SCHEMBL7004695 0.75 LCK (0.50) SRCEGFRLCKAURKAIKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 — — US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 — — WO disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 — — US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 — — EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 — — 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN SRC 46/4885EGFR 818/4885LCK 1/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885EGFR 2229/4885LCK 1011/4885

“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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