SCHEMBL6861291

SCHEMBL6861291

COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1NC(=O)OCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.52
LCK P06239 6/20 0.52
TEK Q02763 5/20 0.52
HCK P08631 1/20 0.52
KDR P35968 3/20 0.50
LIMK1 P53667 1/20 0.50
LIMK2 P53671 1/20 0.50
ABL1 P00519 5/20 0.49
EGFR P00533 5/20 0.49
ABL2 P42684 5/20 0.49
EIF2AK3 Q9NZJ5 3/20 0.48
RET P07949 1/20 0.48
KIF5B P33176 1/20 0.48
KCNH2 Q12809 1/20 0.48
CCDC6 Q16204 1/20 0.48
NEK7 Q8TDX7 2/20 0.48
RIPK2 O43353 3/20 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
Hydrochloric Acid SCHEMBL6465116 0.99 SRC (0.51) SRCLCKTEKHCKKDR
Hydrochloric Acid SCHEMBL7117935 0.95 SRC (0.51) SRCLCKTEKHCKKDR
Hydrochloric Acid SCHEMBL7852175 0.95 SRC (0.52) SRCLCKTEKHCKKDR
SCHEMBL6461905 0.92 LCK (0.59) SRCLCKTEKHCKKDR
Hydrochloric Acid SCHEMBL6463957 0.89 SRC (0.51) SRCLCKTEKHCKKDR
SCHEMBL6865226 0.89 NEK7 (0.57) SRCLCKTEKHCKKDR
SCHEMBL6866209 0.89 LCK (0.52) SRCLCKTEKHCKKDR
SCHEMBL6865988 0.89 SRC (0.51) SRCLCKTEKHCKKDR
Hydrochloric Acid SCHEMBL6463398 0.88 SRC (0.51) SRCLCKTEKHCKKDR
SCHEMBL6867031 0.88 LCK (0.55) SRCLCKTEKHCKKDR

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-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 SRC 206/4885LCK 6/4885TEK 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.