SCHEMBL6462768

SCHEMBL6462768

COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1NC(=O)OC1COCOC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.54
KIF5B P33176 2/20 0.54
KDR P35968 2/20 0.54
KCNH2 Q12809 1/20 0.54
CCDC6 Q16204 1/20 0.54
SRC P12931 5/20 0.50
LCK P06239 4/20 0.50
TEK Q02763 3/20 0.50
HCK P08631 1/20 0.50
RIPK2 O43353 4/20 0.49
NEK7 Q8TDX7 3/20 0.49
EIF2AK3 Q9NZJ5 3/20 0.48
ABL1 P00519 2/20 0.47
EGFR P00533 2/20 0.47
ABL2 P42684 2/20 0.47
FYN P06241 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
LTK P29376 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
SCHEMBL6461270 0.95 RET (0.53) RETKIF5BKDRKCNH2CCDC6
SCHEMBL6867037 0.94 SRC (0.53) RETKIF5BKDRKCNH2CCDC6
SCHEMBL6865175 0.91 KDR (0.52) RETKIF5BKDRKCNH2CCDC6
SCHEMBL6460498 0.88 RET (0.49) RETKIF5BKDRKCNH2CCDC6
SCHEMBL6460272 0.85 SRC (0.61) RETKIF5BKDRKCNH2CCDC6
SCHEMBL6460851 0.85 RIPK2 (0.60) RETKIF5BKDRKCNH2CCDC6
SCHEMBL6467947 0.85 RIPK2 (0.53) RETKIF5BKDRKCNH2CCDC6
SCHEMBL6461293 0.84 SRC (0.54) RETKIF5BKDRKCNH2CCDC6
Carbamic Acid SCHEMBL7852916 0.84 SRC (0.60) RETKIF5BKDRKCNH2CCDC6
SCHEMBL6861029 0.84 LCK (0.59) KDRSRCLCKTEKHCK

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 5 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
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
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO 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 RET 2295/4885KIF5B 1241/4885KDR 3981/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI RET 14/4885KIF5B 3080/4885KDR 23/4885

“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.