SCHEMBL4978752

SCHEMBL4978752

COc1ccc(C(=O)Nc2nc3ccccc3n2CNCc2ccnc(Nc3cccc(CS(C)(=O)=O)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.47
MAPT P10636 1/20 0.46
KDR P35968 15/20 0.45
RET P07949 2/20 0.45
FLT1 P17948 2/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MET P08581 3/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CCNT1 O60563 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL4980467 0.93 TP53 (0.51) TP53IRAK4MAPTKDRMEN1
SCHEMBL4975117 0.86 LMNA (0.47) KDRRETFLT1LMNAHTT
SCHEMBL4978705 0.85 KDR (0.44) KDRRETFLT1LMNAMET
SCHEMBL4978755 0.85 KDR (0.50) TP53IRAK4MAPTKDRRET
SCHEMBL4977980 0.85 KDR (0.48) KDRRETFLT1METPDGFRB
SCHEMBL4981834 0.84 KDR (0.43) KDRRETFLT1MET
SCHEMBL4978194 0.82 MAPT (0.50) TP53MAPTKDRRETFLT1
SCHEMBL4976572 0.81 KDR (0.46) KDRRETFLT1MET
SCHEMBL4979918 0.81 KDR (0.44) KDRRETFLT1METPDGFRA
SCHEMBL4980162 0.80 KDR (0.43) KDRRETFLT1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR TP53 576/4885IRAK4 1066/4885MAPT 2663/4885

“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.