SCHEMBL6508697

SCHEMBL6508697

COc1ccc(-c2cc3ncnn3c(Nc3ccc4cn[nH]c4c3)n2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.71
RET P07949 2/20 0.48
KDR P35968 1/20 0.48
MAP3K11 Q16584 1/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
APAF1 O14727 1/20 0.43
AGPAT2 O15120 3/20 0.42
IGF1R P08069 1/20 0.42
EGFR P00533 2/20 0.42
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.39

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
SCHEMBL6506752 0.83 SYK (1.00) SYKRETKDRMAP3K11RAF1
SCHEMBL5334372 0.73 KDR (0.59) SYKRETKDRMAP3K11RAF1
SCHEMBL25294010 0.73 SYK (0.72) SYKRETKDRMAP3K11
SCHEMBL30338423 0.73 SYK (0.72) SYKRETKDRMAP3K11
SCHEMBL1059535 0.71 SYK (0.70) SYKRETKDR
SCHEMBL6495504 0.71 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL14320776 0.69 RET (0.56) SYKRETKDRRAF1BRAF
SCHEMBL6508688 0.68 MAP4K4 (0.39) SYKRETKDRKDM4EALDH1A1
SCHEMBL2479094 0.68 SYK (1.00) SYK
SCHEMBL2431323 0.67 SYK (0.75) SYK

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-6911443-B2 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-06-28 US claimed
EP-1278750-B1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-08-04 EP claimed
US-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-03-18 US claimed
US-6911443-B2 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-06-28 US disclosed
EP-1278750-B1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-08-04 EP disclosed
US-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-03-18 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-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives XRCC6, XRN2, HRH2 SYK 1025/4885RET 1227/4885KDR 1495/4885

“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.