SCHEMBL6460652

SCHEMBL6460652

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC(=O)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.74
SRC P12931 11/20 0.74
TEK Q02763 11/20 0.74
KDR P35968 6/20 0.74
EGFR P00533 2/20 0.74
FYN P06241 2/20 0.74
LYN P07948 2/20 0.74
CSK P41240 2/20 0.74
BTK Q06187 2/20 0.74
KDM4E B2RXH2 1/20 0.74
MEN1 O00255 1/20 0.74
RGS12 O14924 1/20 0.74
NPC1 O15118 1/20 0.74
GMNN O75496 1/20 0.74
ALDH1A1 P00352 1/20 0.74
LMNA P02545 1/20 0.74
TP53 P04637 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74

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
SCHEMBL6467053 0.94 LCK (0.81) LCKSRCTEKKDREGFR
SCHEMBL24458572 0.92 LCK (0.77) LCKSRCTEKKDREGFR
SCHEMBL8930246 0.91 SRC (0.74) LCKSRCTEKKDREGFR
SCHEMBL7047905 0.89 LCK (0.66) LCKSRCTEKKDREGFR
SCHEMBL7047903 0.89 LCK (0.66) LCKSRCTEKKDREGFR
SCHEMBL378454 0.86 SRC (1.00) LCKSRCTEKKDREGFR
SCHEMBL24458610 0.86 SRC (0.96) LCKSRCTEKKDREGFR
SCHEMBL29920993 0.86 SRC (1.00) LCKSRCTEKKDREGFR
SCHEMBL8930265 0.85 SRC (0.75) LCKSRCTEKKDREGFR
SCHEMBL23834505 0.85 SRC (0.98) LCKSRCTEKKDREGFR

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
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
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.