SCHEMBL6458737

SCHEMBL6458737

CN(C)CCCNC(=O)Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.62
SRC P12931 5/20 0.62
TEK Q02763 5/20 0.62
BTK Q06187 7/20 0.54
KDR P35968 4/20 0.53
HCK P08631 7/20 0.49
FLT3 P36888 5/20 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
SCHEMBL6457819 0.95 LCK (0.61) LCKSRCTEKBTKKDR
SCHEMBL6465342 0.92 LCK (0.67) LCKSRCTEKBTKKDR
SCHEMBL6462024 0.92 LCK (0.60) LCKSRCTEKBTKKDR
SCHEMBL6462888 0.90 SRC (0.70) LCKSRCTEKBTKKDR
SCHEMBL6459567 0.88 LCK (0.59) LCKSRCTEKBTKKDR
SCHEMBL6465478 0.87 LCK (0.63) LCKSRCTEKBTKKDR
SCHEMBL6466133 0.87 LCK (0.62) LCKSRCTEKBTKKDR
SCHEMBL7851979 0.86 LCK (0.65) LCKSRCTEKBTKKDR
SCHEMBL6459028 0.86 LCK (0.62) LCKSRCTEKBTKKDR
SCHEMBL6458223 0.86 LCK (0.64) LCKSRCTEKBTKKDR

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 6 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
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 LCK 1/4885SRC 46/4885TEK 1465/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI LCK 6/4885SRC 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.