SCHEMBL6867280

SCHEMBL6867280

COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1NC(=O)c1cc(C)nn1C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.55
FYN P06241 2/20 0.52
NEK7 Q8TDX7 2/20 0.51
TEK Q02763 2/20 0.50
RIPK2 O43353 2/20 0.49
EIF2AK3 Q9NZJ5 2/20 0.49
HCK P08631 1/20 0.49
SRC P12931 1/20 0.49
RET P07949 1/20 0.47
KIF5B P33176 1/20 0.47
KDR P35968 1/20 0.47
KCNH2 Q12809 1/20 0.47
CCDC6 Q16204 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
SCHEMBL6861029 0.86 LCK (0.59) LCKNEK7TEKRIPK2EIF2AK3
SCHEMBL6867031 0.84 LCK (0.55) LCKNEK7TEKRIPK2EIF2AK3
SCHEMBL6460851 0.84 RIPK2 (0.60) LCKNEK7TEKRIPK2EIF2AK3
SCHEMBL6867037 0.83 SRC (0.53) LCKNEK7TEKRIPK2EIF2AK3
SCHEMBL6461293 0.83 SRC (0.54) LCKNEK7TEKRIPK2EIF2AK3
SCHEMBL6461270 0.81 RET (0.53) LCKFYNNEK7TEKRIPK2
SCHEMBL6460272 0.81 SRC (0.61) LCKFYNTEKRIPK2EIF2AK3
SCHEMBL6869209 0.81 TEK (0.52) LCKFYNNEK7TEKRIPK2
SCHEMBL6865175 0.81 KDR (0.52) LCKNEK7TEKRIPK2EIF2AK3
SCHEMBL6467947 0.81 RIPK2 (0.53) LCKNEK7TEKRIPK2EIF2AK3

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
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
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 (1 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 LCK 6/4885FYN 93/4885NEK7 1848/4885

“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.