SCHEMBL4978634

SCHEMBL4978634

Cn1c(N(C(=O)OC(C)(C)C)c2ccc(C(C)(C)C)cc2)nc2cc(NCc3ccnc(Cl)n3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.37
RAF1 P04049 2/20 0.37
RAB9A P51151 8/20 0.35
NPC1 O15118 7/20 0.35
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
LCK P06239 2/20 0.32
FYN P06241 2/20 0.32
PDGFRB P09619 2/20 0.32
KIT P10721 2/20 0.32
FLT1 P17948 2/20 0.32
FLT4 P35916 2/20 0.32
KDR P35968 2/20 0.32
SYK P43405 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
SCHEMBL4983374 0.87 BRAF (0.44) BRAFRAF1RAB9ANPC1LCK
SCHEMBL4978637 0.81 KDR (0.35) BRAFRAF1LCKFYNPDGFRB
SCHEMBL4983383 0.80 NPC1 (0.38) BRAFRAF1RAB9ANPC1MAPT
SCHEMBL4978728 0.79 BRAF (0.37) BRAFRAF1RAB9ANPC1MAPT
SCHEMBL4980380 0.79 BRAF (0.37) BRAFRAF1RAB9ANPC1MAPT
SCHEMBL4980603 0.78 BRAF (0.39) BRAFRAF1RAB9ANPC1MAPT
SCHEMBL6664682 0.78 BRAF (0.37) BRAFRAF1LCKFYNPDGFRB
SCHEMBL5226236 0.77 BRAF (0.45) BRAFRAF1RAB9ANPC1MAPT
SCHEMBL4978649 0.76 BRD4 (0.35) BRAFRAF1RAB9ANPC1MAPT
SCHEMBL4976646 0.74 KDR (0.37) BRAFRAF1RAB9ANPC1LCK

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 3 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
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 BRAF 575/4885RAF1 1750/4885RAB9A 4360/4885

“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.