SCHEMBL4719939

SCHEMBL4719939

Nc1ncc(C#Cc2cccc(NC(=O)Nc3cc(F)ccc3F)c2)cn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.54
LCK P06239 3/20 0.53
TEK Q02763 3/20 0.53
PDGFRB P09619 2/20 0.52
CDK8 P49336 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL4719717 0.89 KDR (0.61) KDRLCKTEKPDGFRBCDK8
SCHEMBL4717511 0.89 LCK (0.56) KDRLCKTEKCDK8MAPT
SCHEMBL4714839 0.88 KDR (0.65) KDRLCKTEKPDGFRB
SCHEMBL4717670 0.88 LCK (0.55) KDRLCKTEKPDGFRBCDK8
SCHEMBL4716338 0.86 KDR (0.57) KDRLCKTEKPDGFRBCDK8
SCHEMBL4717465 0.86 LCK (0.56) KDRLCKTEKPDGFRBCDK8
SCHEMBL4720860 0.82 KDR (0.57) KDRLCKTEKPDGFRBHTT
SCHEMBL4714699 0.82 MEN1 (0.57) KDRLCKTEKCDK8HTT
SCHEMBL4035077 0.81 LCK (0.52) KDRLCKTEKCDK8MEN1
SCHEMBL4716314 0.80 MAPT (0.57) LCKTEKMAPTMEN1KMT2A

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 KDR 5/4885LCK 391/4885TEK 2/4885

“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.