SCHEMBL4719663

SCHEMBL4719663

Cn1nc(C2CC2)cc1NC(=O)Nc1cccc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 15/20 0.49
KCNJ3 P48549 15/20 0.49
KCNJ5 P48544 10/20 0.46
LCK P06239 2/20 0.44
TEK Q02763 2/20 0.44
BRAF P15056 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDR P35968 2/20 0.40
PDGFRB P09619 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
SCHEMBL4718624 0.90 KCNJ6 (0.51) KCNJ6KCNJ3KCNJ5BRAFCYP3A4
SCHEMBL4714414 0.89 CYP3A4 (0.57) KCNJ6KCNJ3KCNJ5LCKTEK
SCHEMBL4718461 0.87 NTRK1 (0.42) KCNJ6KCNJ3KCNJ5CYP3A4GAA
SCHEMBL4640994 0.85 LCK (0.52) LCKTEKKDR
SCHEMBL4718570 0.85 MEN1 (0.50) KCNJ6KCNJ3KCNJ5LCKTEK
SCHEMBL4716764 0.83 FLT3 (0.47) KCNJ6KCNJ3KCNJ5LCKTEK
SCHEMBL4715085 0.82 MAPK14 (0.60) BRAF
SCHEMBL4717424 0.82 MAPK14 (0.38) KCNJ6KCNJ3KCNJ5CYP3A4GAA
SCHEMBL4718921 0.81 GCK (0.43) KCNJ6KCNJ3KCNJ5LCKKDR
SCHEMBL4714642 0.81 KCNJ6 (0.41) KCNJ6KCNJ3KCNJ5

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 KCNJ6 2553/4885KCNJ3 2779/4885KCNJ5 2550/4885

“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.