SCHEMBL6465583

SCHEMBL6465583

COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1NC(=O)OC1CCOCC1.O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 7/20 0.47
SRC P12931 4/20 0.46
TEK Q02763 3/20 0.46
LCK P06239 3/20 0.46
HCK P08631 1/20 0.46
KDR P35968 2/20 0.44
EIF2AK3 Q9NZJ5 3/20 0.44
ABL1 P00519 2/20 0.43
EGFR P00533 2/20 0.43
ABL2 P42684 2/20 0.43
RET P07949 2/20 0.43
KIF5B P33176 2/20 0.43
KCNH2 Q12809 1/20 0.43
CCDC6 Q16204 1/20 0.43
NEK7 Q8TDX7 1/20 0.42

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
SCHEMBL6867037 0.89 SRC (0.53) RIPK2SRCTEKLCKHCK
SCHEMBL6865175 0.87 KDR (0.52) RIPK2SRCTEKLCKHCK
SCHEMBL6461270 0.85 RET (0.53) RIPK2SRCTEKLCKHCK
SCHEMBL6462768 0.83 RET (0.54) RIPK2SRCTEKLCKHCK
SCHEMBL6460272 0.82 SRC (0.61) RIPK2SRCTEKLCKHCK
Carbamic Acid SCHEMBL7852916 0.81 SRC (0.60) RIPK2SRCTEKLCKHCK
SCHEMBL6460851 0.79 RIPK2 (0.60) RIPK2SRCTEKLCKHCK
SCHEMBL6467947 0.78 RIPK2 (0.53) RIPK2SRCTEKLCKHCK
SCHEMBL6461293 0.77 SRC (0.54) RIPK2SRCTEKLCKHCK
SCHEMBL6861029 0.77 LCK (0.59) RIPK2SRCTEKLCKHCK

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 2575/4885SRC 46/4885TEK 1465/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI RIPK2 313/4885SRC 206/4885TEK 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.