SCHEMBL4721876

SCHEMBL4721876

CC(C)(C)c1cc(NC(=O)Nc2cccc(C#Cc3cncnc3NCCN3CCOCC3)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.49
RAF1 P04049 5/20 0.49
SLC2A1 P11166 1/20 0.48
FLT3 P36888 5/20 0.47
RET P07949 5/20 0.46
CSF1R P07333 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
KDR P35968 1/20 0.46
DDR1 Q08345 1/20 0.46

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
SCHEMBL4720615 0.96 BRAF (0.51) BRAFRAF1FLT3RETCSF1R
SCHEMBL4721535 0.94 BRAF (0.48) BRAFRAF1FLT3RETKDR
SCHEMBL4719655 0.94 BRAF (0.49) BRAFRAF1FLT3RETKDR
SCHEMBL4719244 0.90 BRAF (0.49) BRAFRAF1RET
SCHEMBL4719736 0.89 BRAF (0.51) BRAFRAF1RET
SCHEMBL4721107 0.89 BRAF (0.51) BRAFRAF1FLT3CSF1R
SCHEMBL4716379 0.88 SLC2A1 (0.55) BRAFRAF1SLC2A1FLT3RET
SCHEMBL4718146 0.87 MEN1 (0.48) BRAFRAF1FLT3RETCSF1R
SCHEMBL4719574 0.86 MEN1 (0.48) BRAFRAF1FLT3RET
SCHEMBL4721112 0.86 MAPK14 (0.47) BRAFRAF1KIT

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-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 BRAF 2020/4885RAF1 2215/4885SLC2A1 2130/4885

“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.