SCHEMBL3582834

SCHEMBL3582834

CC(CNc1ncc(C#Cc2cncc(N)c2)cn1)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.34
PIK3CA P42336 7/20 0.34
ADK P55263 2/20 0.34
ACACB O00763 3/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
MTOR P42345 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CB P42338 1/20 0.31
P2RX7 Q99572 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL3631559 0.87 EGFR (0.40) P2RX3P2RX2
SCHEMBL3582836 0.79 P2RX3 (0.42) P2RX3P2RX2
SCHEMBL13499918 0.77 EGFR (0.43)
SCHEMBL3632929 0.75 EGFR (0.44) P2RX3P2RX2
SCHEMBL4718778 0.67 EGFR (0.47) P2RX3P2RX2LRRK2
SCHEMBL12498590 0.66 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL4618634 0.66 EGFR (0.49)
SCHEMBL3571140 0.65 EGFR (0.43) P2RX3P2RX2
SCHEMBL3586425 0.64 GRM5 (0.36) ADK
SCHEMBL3632649 0.62 CYP1A2 (0.45) P2RX3P2RX2

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 PCSK9 623/4885PIK3CA 1282/4885ADK 247/4885

“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.