SCHEMBL6458751

SCHEMBL6458751

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2CC(=O)NCCN1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.59
SRC P12931 7/20 0.59
TEK Q02763 4/20 0.59
BTK Q06187 9/20 0.53
HCK P08631 5/20 0.51
FLT3 P36888 3/20 0.49
KDR P35968 2/20 0.49
FYN P06241 1/20 0.48
YES1 P07947 1/20 0.48
LYN P07948 1/20 0.48
FGR P09769 1/20 0.48
TEC P42680 1/20 0.48
TXK P42681 1/20 0.48
BLK P51451 1/20 0.48
BMX P51813 1/20 0.48
ERBB4 Q15303 1/20 0.48

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
SCHEMBL6461718 0.93 LCK (0.62) LCKSRCTEKBTKHCK
SCHEMBL6459603 0.92 LCK (0.61) LCKSRCTEKBTKHCK
SCHEMBL6461162 0.90 LCK (0.59) LCKSRCTEKBTKHCK
SCHEMBL6461408 0.88 LCK (0.60) LCKSRCTEKBTKHCK
SCHEMBL6463938 0.87 LCK (0.59) LCKSRCTEKBTKHCK
SCHEMBL6462888 0.86 SRC (0.70) LCKSRCTEKBTKHCK
SCHEMBL27555099 0.86 LCK (0.64) LCKSRCTEKBTKHCK
SCHEMBL6465709 0.86 LCK (0.57) LCKSRCTEKBTKHCK
SCHEMBL7842853 0.85 LCK (0.64) LCKSRCTEKBTKHCK
SCHEMBL6465342 0.85 LCK (0.67) LCKSRCTEKBTKHCK

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.