SCHEMBL4716379

SCHEMBL4716379

CC(C)(C)c1cc(NC(=O)Nc2cccc(C#Cc3cnc(NCCN4CCOCC4)nc3)c2)no1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
BRAF P15056 11/20 0.53
RAF1 P04049 5/20 0.53
FLT3 P36888 4/20 0.51
RET P07949 4/20 0.49
CSF1R P07333 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
KDR P35968 1/20 0.49
DDR1 Q08345 1/20 0.49

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
SCHEMBL4716479 0.95 BRAF (0.54) SLC2A1BRAFRAF1FLT3RET
SCHEMBL4718677 0.94 BRAF (0.51) SLC2A1BRAFRAF1FLT3CSF1R
SCHEMBL4716501 0.93 BRAF (0.52) SLC2A1BRAFRAF1FLT3KDR
SCHEMBL4718600 0.92 FLT3 (0.49) SLC2A1BRAFRAF1FLT3RET
SCHEMBL4718541 0.90 KDR (0.49) SLC2A1BRAFRAF1FLT3KDR
SCHEMBL4717170 0.89 BRAF (0.53) BRAFRAF1
SCHEMBL4718429 0.88 BRAF (0.54) BRAFRAF1
SCHEMBL4715866 0.88 BRAF (0.54) BRAFRAF1FLT3CSF1R
SCHEMBL4721876 0.88 BRAF (0.49) SLC2A1BRAFRAF1FLT3RET
SCHEMBL4715251 0.87 FLT3 (0.48) BRAFRAF1FLT3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 SLC2A1 2090/4885BRAF 2001/4885RAF1 2084/4885

“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.