SCHEMBL3581653

SCHEMBL3581653

Nc1ncnc(N)c1C#Cc1cccc(N(C(=O)O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADK P55263 7/20 0.38
ABL1 P00519 4/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FFAR1 O14842 1/20 0.35
KDR P35968 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GRM5 P41594 1/20 0.35
RET P07949 3/20 0.34
ASIC3 Q9UHC3 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4721937 0.91 ADK (0.37) ADKABL1PIK3CDPIK3CAPIK3CB
SCHEMBL5250424 0.89 KDR (0.38) ADKKDR
SCHEMBL4718135 0.88 ADK (0.48) ADKABL1FFAR1GRM5RET
SCHEMBL3581185 0.84 LCK (0.43) FFAR1KDRGRM5ASIC3NPSR1
SCHEMBL5250427 0.81 NPC1 (0.37) ADKKDRRET
SCHEMBL27649219 0.79 LCK (0.39) ADKABL1FFAR1KDRGRM5
SCHEMBL5302989 0.78 ABL1 (0.45) ADKABL1CA12CA1CA2
SCHEMBL27669464 0.76 ADK (0.33) ADKABL1PIK3CDPIK3CAPIK3CB
SCHEMBL27669462 0.76 ADK (0.39) ADK
SCHEMBL4719226 0.75 KDR (0.58) ABL1CA12CA1CA2CA9

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 2 patents. 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
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 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 (2 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 ADK 247/4885ABL1 81/4885PIK3CD 2592/4885
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 ADK 252/4885ABL1 36/4885PIK3CD 1313/4885

“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.