SCHEMBL6467947

SCHEMBL6467947

COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1NC(=O)OCC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.53
NEK7 Q8TDX7 8/20 0.50
TEK Q02763 2/20 0.50
SRC P12931 2/20 0.50
LCK P06239 2/20 0.50
RET P07949 1/20 0.50
KIF5B P33176 1/20 0.50
KDR P35968 1/20 0.50
KCNH2 Q12809 1/20 0.50
CCDC6 Q16204 1/20 0.50
HCK P08631 1/20 0.50
EIF2AK3 Q9NZJ5 3/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
ABL2 P42684 1/20 0.49

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
SCHEMBL2072364 0.93 SRC (0.56) RIPK2NEK7TEKSRCLCK
SCHEMBL6460851 0.90 RIPK2 (0.60) RIPK2NEK7TEKSRCLCK
SCHEMBL6461905 0.88 LCK (0.59) RIPK2NEK7TEKSRCLCK
SCHEMBL6869209 0.88 TEK (0.52) RIPK2NEK7TEKSRCLCK
SCHEMBL6866209 0.88 LCK (0.52) RIPK2NEK7TEKSRCLCK
SCHEMBL6867037 0.88 SRC (0.53) RIPK2NEK7TEKSRCLCK
Hydrochloric Acid SCHEMBL6466764 0.87 TEK (0.51) RIPK2NEK7TEKSRCLCK
SCHEMBL6861291 0.87 SRC (0.52) RIPK2NEK7TEKSRCLCK
SCHEMBL6461270 0.87 RET (0.53) RIPK2NEK7TEKSRCLCK
Hydrochloric Acid SCHEMBL6465116 0.87 SRC (0.51) RIPK2NEK7TEKSRCLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN RIPK2 2575/4885NEK7 3001/4885TEK 1465/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI RIPK2 313/4885NEK7 1848/4885TEK 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.