SCHEMBL6204545

SCHEMBL6204545

CN1CCN(c2ncnc3oc(-c4ccc(NC(=O)c5cccnc5)cc4)c(-c4ccccc4)c23)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.54
AURKA O14965 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EGFR P00533 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
AXL P30530 1/20 0.45
MERTK Q12866 1/20 0.45
TEK Q02763 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
KDR P35968 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GFER P55789 1/20 0.43
USP2 O75604 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
SCHEMBL12789817 0.80 ALDH1A1 (0.75) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6203559 0.76 ALDH1A1 (0.66) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6203768 0.76 ALDH1A1 (0.66) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6204604 0.74 ALDH1A1 (0.59) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6202165 0.72 ALDH1A1 (0.51) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL6198425 0.72 AURKA (0.52) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL756703 0.72 AURKA (0.80) AURKAEGFRMERTK
SCHEMBL6200494 0.71 AURKA (0.71) GSK3BAURKAALDH1A1HPGDTSHR
SCHEMBL6248624 0.69 WDR5 (0.45) AURKAALDH1A1HPGDTSHRHSD17B10
SCHEMBL31667944 0.69 EGFR (0.80) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425283-B1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2005-03-16 EP disclosed
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 US 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-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof DPYD, TPMT, TYMP GSK3B 3725/4885AURKA 795/4885ALDH1A1 176/4885

“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.