SCHEMBL4978627

SCHEMBL4978627

CN(c1ccc(S(C)(=O)=O)cc1)c1nccc(N(C)c2cccc3c2nc(NC(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n3C)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.38
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
CYP2D6 P10635 1/20 0.36
RIPK1 Q13546 2/20 0.34
MLKL Q8NB16 2/20 0.34
RIPK3 Q9Y572 2/20 0.34
RORC P51449 2/20 0.34
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
PARP1 P09874 1/20 0.33
AURKA O14965 1/20 0.32
RIOK2 Q9BVS4 1/20 0.32

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
SCHEMBL4979266 0.90 KDR (0.40) KDRCYP2D6RORCPARP1
SCHEMBL4977130 0.89 KDR (0.46) KDRRORCPARP1
SCHEMBL4980913 0.88 KDR (0.40) KDRRORCPTGS2PTGS1PARP1
SCHEMBL4980390 0.87 KDR (0.40) KDRRORCPARP1
SCHEMBL4978469 0.87 KDR (0.40) KDRRORCPARP1
SCHEMBL4978443 0.86 KDR (0.39) KDRRORC
SCHEMBL4978787 0.85 LMNA (0.38) KDRPTGS2PTGS1PARP1
SCHEMBL4976614 0.84 KDR (0.35) KDRRIPK1MLKLRIPK3PTGS2
SCHEMBL4980547 0.84 KDR (0.34) KDRPTGS2PTGS1PARP1
SCHEMBL4976597 0.84 KDR (0.37) 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 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 3/4885PSEN1 3905/4885PSEN2 2477/4885

“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.