SCHEMBL6203768

SCHEMBL6203768

CN1CCN(c2ncnc3oc(-c4ccc(Br)cc4)c(-c4ccccc4)c23)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
HPGD P15428 4/20 0.66
TSHR P16473 3/20 0.66
HSD17B10 Q99714 3/20 0.66
AURKA O14965 3/20 0.62
TNK2 Q07912 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LCK P06239 5/20 0.47
KDM4E B2RXH2 3/20 0.47
UBE2N P61088 1/20 0.47
HTT P42858 3/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 2/20 0.46
KDR P35968 2/20 0.45
EGFR P00533 4/20 0.45
JAK2 O60674 1/20 0.45
SRC P12931 1/20 0.45

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 0.93 ALDH1A1 (0.75) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6202459 0.90 ALDH1A1 (0.53) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6203559 0.89 ALDH1A1 (0.66) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6200017 0.88 ALDH1A1 (0.62) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6202985 0.85 AURKA (0.87) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6204604 0.84 ALDH1A1 (0.59) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6201850 0.79 ALDH1A1 (0.53) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6200494 0.78 AURKA (0.71) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6198425 0.78 AURKA (0.52) ALDH1A1HPGDTSHRHSD17B10AURKA
SCHEMBL6202165 0.78 ALDH1A1 (0.51) ALDH1A1HPGDTSHRHSD17B10AURKA

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
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
EP-1425283-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-06-09 EP disclosed
WO-2003018589-A1 NOVEL 4-AMINOFUROPYRIMIDINES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 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-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof DPYD, TPMT, TYMP ALDH1A1 176/4885HPGD 389/4885TSHR 4809/4885

“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.