SCHEMBL4618985

SCHEMBL4618985

Cc1ncc(N)cc1C#Cc1cnc(N)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.35
TEK Q02763 2/20 0.35
KDR P35968 1/20 0.35
KIT P10721 2/20 0.32
GRM5 P41594 2/20 0.31
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30
MTOR P42345 1/20 0.30
MAP4K4 O95819 1/20 0.30

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
SCHEMBL4716651 0.78 LCK (0.46) LCKTEKKDRKITGRM5
SCHEMBL29236454 0.78 GRM5 (0.41) LCKGRM5MTOR
SCHEMBL4617637 0.77 MAPT (0.41) LCKTEKKDR
SCHEMBL4617925 0.77 GRM5 (0.33) LCKTEKKDRGRM5MTOR
SCHEMBL29236495 0.75 NOS3 (0.31)
SCHEMBL3576456 0.72 PTPN1 (0.33)
SCHEMBL21604785 0.72 KDM4E (0.40)
SCHEMBL3576567 0.71 TTBK1 (0.35)
SCHEMBL30966825 0.71 PTPN11 (0.43) GRM5ABL1
SCHEMBL29236509 0.71 PTPN11 (0.43) GRM5ABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 LCK 902/4885TEK 2/4885KDR 4/4885

“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.