SCHEMBL6312832

SCHEMBL6312832

COc1ccc2ncc(-c3cnc(Nc4ccc(OCCCN5CCCCC5)cc4)nc3N)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.52
EGFR P00533 1/20 0.52
INSR P06213 1/20 0.52
MET P08581 1/20 0.52
CDK2 P24941 1/20 0.52
KDR P35968 1/20 0.52
TEK Q02763 1/20 0.52
BRAF P15056 1/20 0.51
SRC P12931 3/20 0.47
HRH3 Q9Y5N1 2/20 0.45
HRH2 P25021 1/20 0.45
AXL P30530 1/20 0.45
ABL1 P00519 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
KCNH2 Q12809 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL263806 0.83 BRAF (0.55) KDRBRAFSRCAXLFGFR1
SCHEMBL6671954 0.81 IGF1R (0.67) IGF1REGFRINSRMETCDK2
SCHEMBL6312611 0.76 KDR (0.52) IGF1REGFRINSRMETCDK2
SCHEMBL5501154 0.75 SRC (0.69) IGF1REGFRINSRMETCDK2
SCHEMBL6318900 0.75 IGF1R (0.58) IGF1REGFRKDR
SCHEMBL738030 0.73 BACE1 (0.53) EGFRKDRTEKSRCAXL
SCHEMBL29371097 0.73 SRC (0.53) IGF1REGFRINSRMETCDK2
SCHEMBL18376823 0.73 SRC (0.53) IGF1REGFRINSRMETCDK2
SCHEMBL270422 0.73 JAK1 (0.63) IGF1REGFRINSRMETKDR
SCHEMBL5490360 0.72 BRAF (0.64) IGF1REGFRINSRMETCDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 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 (1 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT IGF1R 4054/4885EGFR 1302/4885INSR 2763/4885

“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.