SCHEMBL4716964

SCHEMBL4716964

CN1CCN(c2cc(F)cc(NC(=O)Nc3cccc(C#Cc4cnc(N)nc4)c3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.46
TEK Q02763 4/20 0.46
KDR P35968 4/20 0.46
PLK4 O00444 2/20 0.45
KIT P10721 5/20 0.43
RET P07949 1/20 0.43
MAPK14 Q16539 1/20 0.41
PDGFRA P16234 1/20 0.41
EGFR P00533 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
BRD4 O60885 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL4717465 0.84 LCK (0.56) LCKTEKKDR
SCHEMBL4717511 0.82 LCK (0.56) LCKTEKKDREGFRAURKB
SCHEMBL4717670 0.79 LCK (0.55) LCKTEKKDR
SCHEMBL27672713 0.78 LCK (0.41) LCKTEKKDRPLK4KIT
SCHEMBL3583017 0.78 LCK (0.44) LCKTEKKDRKITRET
SCHEMBL4720860 0.76 KDR (0.57) LCKTEKKDR
SCHEMBL4716338 0.76 KDR (0.57) LCKTEKKDR
SCHEMBL4719789 0.75 LCK (0.54) LCKTEKKDREGFR
SCHEMBL4035077 0.75 LCK (0.52) LCKTEKKDREGFR
SCHEMBL4719939 0.74 KDR (0.54) LCKTEKKDR

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.