SCHEMBL4978756

SCHEMBL4978756

CCS(=O)(=O)c1ccc(OC)c(Nc2nccc(N(C)Cn3c(N(C(C)=O)c4ccc(Cl)c(Cl)c4)nc4ccccc43)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.38
FLT1 P17948 7/20 0.38
FLT4 P35916 7/20 0.38
EGFR P00533 4/20 0.35
IGF1R P08069 1/20 0.35
KCNH2 Q12809 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CLK1 P49759 2/20 0.34
DYRK1A Q13627 2/20 0.34
CCNT1 O60563 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 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
SCHEMBL4978003 0.86 KDR (0.37) KDRFLT1FLT4EGFR
SCHEMBL4980811 0.83 KDR (0.41) KDRFLT1FLT4EGFRCLK1
SCHEMBL4978439 0.81 KDR (0.45) KDR
SCHEMBL4976575 0.81 KDR (0.51) KDR
SCHEMBL4981235 0.71 KDR (0.42) KDR
SCHEMBL4977124 0.71 KDR (0.47) KDR
SCHEMBL4979212 0.71 ROCK2 (0.43) KDRFLT1FLT4
SCHEMBL4811712 0.71 KDR (0.46) KDRFLT1FLT4RXFP1
SCHEMBL5223878 0.71 KDR (0.41) KDRFLT1FLT4RXFP1
SCHEMBL4979263 0.70 KDR (0.45) 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 6 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
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-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.