SCHEMBL6461041

SCHEMBL6461041

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCOC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 1.00
SRC P12931 12/20 1.00
TEK Q02763 11/20 1.00
HCK P08631 6/20 0.89
KDR P35968 7/20 0.81
BTK Q06187 5/20 0.81
FLT3 P36888 4/20 0.81
FYN P06241 3/20 0.81
RET P07949 2/20 0.81
FLT1 P17948 2/20 0.81
NTRK3 Q16288 2/20 0.81
NTRK2 Q16620 2/20 0.81
AURKB Q96GD4 2/20 0.81
PDGFRB P09619 1/20 0.81
PDGFRA P16234 1/20 0.81
LTK P29376 1/20 0.81
MAP2K2 P36507 1/20 0.81
CDK8 P49336 1/20 0.81
MAP2K1 Q02750 1/20 0.81
ACVR1 Q04771 1/20 0.81

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
SCHEMBL6466052 0.94 LCK (1.00) LCKSRCTEKHCKKDR
SCHEMBL6461225 0.91 LCK (0.84) LCKSRCTEKHCKKDR
SCHEMBL6872508 0.89 SRC (0.79) LCKSRCTEKHCKKDR
SCHEMBL6866376 0.89 LCK (0.79) LCKSRCTEKHCKKDR
SCHEMBL6869250 0.88 LCK (0.77) LCKSRCTEKHCKKDR
SCHEMBL6468048 0.86 LCK (0.76) LCKSRCTEKHCKKDR
SCHEMBL6463412 0.86 LCK (0.76) LCKSRCTEKHCKKDR
SCHEMBL24458610 0.86 SRC (0.96) LCKSRCTEKHCKKDR
SCHEMBL29920993 0.86 SRC (1.00) LCKSRCTEKHCKKDR
SCHEMBL378454 0.86 SRC (1.00) LCKSRCTEKHCKKDR

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.