SCHEMBL4717465

SCHEMBL4717465

Nc1ncc(C#Cc2cccc(NC(=O)Nc3cc(F)cc(F)c3)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.56
TEK Q02763 3/20 0.56
KDR P35968 6/20 0.53
TAAR1 Q96RJ0 1/20 0.47
CDK8 P49336 2/20 0.46
GFER P55789 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4717511 0.95 LCK (0.56) LCKTEKKDRTAAR1CDK8
SCHEMBL4717670 0.91 LCK (0.55) LCKTEKKDRTAAR1CDK8
SCHEMBL4720860 0.88 KDR (0.57) LCKTEKKDRRAB9ANPC1
SCHEMBL4716338 0.88 KDR (0.57) LCKTEKKDRCDK8KMT2A
SCHEMBL4035077 0.87 LCK (0.52) LCKTEKKDRTAAR1CDK8
SCHEMBL4719939 0.86 KDR (0.54) LCKTEKKDRTAAR1CDK8
SCHEMBL4715827 0.86 MEN1 (0.60) LCKTEKKDRRAB9ANPC1
SCHEMBL4719717 0.86 KDR (0.61) LCKTEKKDRCDK8RAB9A
SCHEMBL4719789 0.85 LCK (0.54) LCKTEKKDRSMN1; SMN2TP53
SCHEMBL4714699 0.85 MEN1 (0.57) LCKTEKKDRCDK8RAB9A

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

“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.