SCHEMBL4983374

SCHEMBL4983374

Cn1c(N(C(=O)OC(C)(C)C)c2ccc(C(C)(C)C)cc2)nc2cc(Nc3ccnc(Cl)n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.44
RAF1 P04049 4/20 0.41
LCK P06239 2/20 0.38
FYN P06241 2/20 0.38
PDGFRB P09619 2/20 0.38
KIT P10721 2/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
KDR P35968 2/20 0.38
SRC P12931 1/20 0.38
SYK P43405 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL4983383 0.92 NPC1 (0.38) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4978728 0.92 BRAF (0.37) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4980380 0.92 BRAF (0.37) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4980603 0.91 BRAF (0.39) BRAFRAF1LCKFYNPDGFRB
SCHEMBL5226236 0.90 BRAF (0.45) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4978634 0.87 BRAF (0.37) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4978637 0.84 KDR (0.35) BRAFRAF1LCKFYNPDGFRB
SCHEMBL14263381 0.84 BRAF (0.36) BRAFRAF1LCKFYNPDGFRB
SCHEMBL6664682 0.80 BRAF (0.37) BRAFRAF1LCKFYNPDGFRB
SCHEMBL5228478 0.80 NPC1 (0.41) BRAFNPC1RAB9A

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 disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
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 BRAF 575/4885RAF1 1750/4885LCK 427/4885

“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.