SCHEMBL4978009

SCHEMBL4978009

CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(N(C)c3cccc4c3nc(NC(=O)Cc3cc(F)ccc3F)n4C)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.38
FLT1 P17948 3/20 0.38
FLT4 P35916 3/20 0.38
EGFR P00533 8/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP1 P09874 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTK2 Q05397 1/20 0.34

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
SCHEMBL5226379 0.87 KDR (0.41) KDRFLT1FLT4EGFRMAPT
SCHEMBL4979215 0.86 ALK (0.38) KDRFLT1FLT4PARP1
SCHEMBL4980815 0.82 KDR (0.39) KDRFLT1FLT4PARP1
SCHEMBL4976614 0.81 KDR (0.35) KDRPARP1
SCHEMBL4977078 0.80 KDR (0.45) KDRFLT1FLT4EGFRPTK2
SCHEMBL4979936 0.79 EPHB4 (0.33) KDR
SCHEMBL4978000 0.76 LMNA (0.41) KDRFLT1FLT4EGFRMAPT
SCHEMBL5226814 0.76 KDR (0.39) KDRFLT1FLT4EGFRPARP1
SCHEMBL4805956 0.73 KDR (0.55) KDR
SCHEMBL5223878 0.73 KDR (0.41) KDRFLT1FLT4PARP1

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
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
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 KDR 3/4885FLT1 5/4885FLT4 4/4885

“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.