SCHEMBL4714839

SCHEMBL4714839

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.65
LCK P06239 7/20 0.65
TEK Q02763 7/20 0.65
RIPK1 Q13546 5/20 0.52
PDGFRB P09619 3/20 0.50
BRAF P15056 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
KIT P10721 1/20 0.49
FLT3 P36888 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
SCHEMBL4715351 0.88 LCK (0.78) KDRLCKTEKBRAFCA12
SCHEMBL4719939 0.88 KDR (0.54) KDRLCKTEKPDGFRB
SCHEMBL4715363 0.87 LCK (0.67) KDRLCKTEKBRAFFLT3
SCHEMBL4719717 0.85 KDR (0.61) KDRLCKTEKPDGFRBCA12
SCHEMBL4618708 0.85 LCK (0.85) KDRLCKTEKPDGFRBKIT
SCHEMBL4714365 0.84 LCK (0.65) KDRLCKTEKRIPK1PDGFRB
SCHEMBL16008176 0.83 CA12 (0.54) KDRRIPK1PDGFRBBRAFCA12
SCHEMBL4716338 0.83 KDR (0.57) KDRLCKTEKPDGFRB
SCHEMBL4716714 0.82 LCK (0.58) KDRLCKTEKKITFLT3
SCHEMBL4041879 0.82 LCK (0.71) KDRLCKTEKBRAFKIT

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 3 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

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.