SCHEMBL4980470

SCHEMBL4980470

COc1ccc(C(=O)Nc2nc3ccccc3n2CN(C)c2ccnc(Nc3ccc(CS(C)(=O)=O)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.49
MAPT P10636 1/20 0.48
KDR P35968 12/20 0.45
AURKA O14965 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AKT1 P31749 1/20 0.42
PLK1 P53350 1/20 0.42
PTK2 Q05397 1/20 0.42
AURKB Q96GD4 1/20 0.42
ITK Q08881 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 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
SCHEMBL4978755 0.93 KDR (0.50) TP53IRAK4MAPTKDRMEN1
SCHEMBL6635302 0.87 KDR (0.50) KDRAURKAMEN1HTTKMT2A
SCHEMBL4976931 0.85 KDR (0.48) KDRAURKA
SCHEMBL4980467 0.84 TP53 (0.51) TP53IRAK4MAPTKDRMEN1
SCHEMBL4980909 0.83 KDR (0.51) KDRAURKA
SCHEMBL4978464 0.83 KDR (0.51) KDRAURKAAKT1PTK2
SCHEMBL4978785 0.81 KDR (0.46) KDRAURKA
SCHEMBL4978081 0.81 KDR (0.46) KDRAURKA
SCHEMBL4978594 0.80 KDR (0.52) KDR
SCHEMBL4980384 0.80 KDR (0.52) KDR

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.