SCHEMBL6459043

SCHEMBL6459043

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC(N2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 1.00
SRC P12931 11/20 1.00
TEK Q02763 10/20 1.00
HCK P08631 9/20 0.82
KDR P35968 7/20 0.82
FLT3 P36888 5/20 0.82
LYN P07948 3/20 0.82
EGFR P00533 2/20 0.82
FYN P06241 2/20 0.82
CSK P41240 2/20 0.82
BTK Q06187 2/20 0.82
PRKD3 O94806 2/20 0.82
PRKCD Q05655 2/20 0.82
PAK4 O96013 2/20 0.82
CHEK2 O96017 2/20 0.82
INSR P06213 2/20 0.82
CSF1R P07333 2/20 0.82
FGFR1 P11362 2/20 0.82
RPS6KB1 P23443 2/20 0.82
MARK3 P27448 2/20 0.82

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
SCHEMBL6459046 1.00 LCK (1.00) LCKSRCTEKHCKKDR
SCHEMBL6861908 1.00 LCK (1.00) LCKSRCTEKHCKKDR
Hydrochloric Acid SCHEMBL6460649 0.99 LCK (0.98) LCKSRCTEKHCKKDR
Hydrochloric Acid SCHEMBL6460645 0.99 LCK (0.98) LCKSRCTEKHCKKDR
SCHEMBL6458486 0.99 LCK (0.98) LCKSRCTEKHCKKDR
SCHEMBL6460765 0.99 LCK (0.98) LCKSRCTEKHCKKDR
SCHEMBL6458490 0.99 LCK (0.98) LCKSRCTEKHCKKDR
SCHEMBL23854913 0.92 LCK (0.84) LCKSRCTEKHCKKDR
SCHEMBL23847522 0.92 LCK (0.84) LCKSRCTEKHCKKDR
SCHEMBL23847515 0.92 LCK (0.84) 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 12 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 claimed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 US claimed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP claimed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO claimed
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
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 CN disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 WO 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.