SCHEMBL3581185

SCHEMBL3581185

Nc1ncc(C#Cc2cccc(N(C(=O)O)c3ccccc3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.43
TEK Q02763 4/20 0.43
KDR P35968 2/20 0.39
GRM5 P41594 7/20 0.38
FFAR1 O14842 2/20 0.36
ASIC3 Q9UHC3 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTPN11 Q06124 1/20 0.35
COMT P21964 1/20 0.34

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
SCHEMBL27672591 0.91 LCK (0.42) LCKTEKKDRGRM5FFAR1
SCHEMBL3568737 0.87 GRM5 (0.37) LCKTEKKDRGRM5NPSR1
SCHEMBL3581653 0.84 ADK (0.38) KDRGRM5FFAR1ASIC3NPSR1
SCHEMBL4716259 0.84 LCK (0.43) LCKTEKKDRGRM5FFAR1
SCHEMBL27672603 0.81 LCK (0.42) LCKTEKKDRGRM5
SCHEMBL27672622 0.81 VNN1 (0.42) LCKTEKKDRGRM5FFAR1
SCHEMBL27672607 0.80 GRM5 (0.45) LCKTEKKDRGRM5
SCHEMBL27672587 0.80 GRM5 (0.47) LCKTEKKDRGRM5
SCHEMBL27652405 0.79 LCK (0.41) LCKTEKKDRGRM5
SCHEMBL27652400 0.78 TEK (0.52) LCKTEKKDRGRM5FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 LCK 326/4885TEK 1/4885KDR 11/4885

“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.