SCHEMBL3580063

SCHEMBL3580063

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)NCCCN2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.51
PRMT3 O60678 1/20 0.50
PDGFRB P09619 2/20 0.49
FLT1 P17948 2/20 0.49
KDR P35968 2/20 0.49
EPHX2 P34913 9/20 0.49
EGFR P00533 1/20 0.47
HTR2A P28223 1/20 0.47
CCR3 P51677 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL3573312 0.95 EPHX2 (0.53) SMN1; SMN2PDGFRBFLT1KDREPHX2
SCHEMBL3584139 0.92 CCR3 (0.49) MAPTHTR2ACCR3MCHR1
SCHEMBL3579321 0.86 MEN1 (0.53) MAPTPRMT3EPHX2EGFRCCR3
SCHEMBL3580051 0.85 MEN1 (0.55) PRMT3EPHX2EGFRCCR3
SCHEMBL3582225 0.83 EGFR (0.54) SMN1; SMN2MAPTEPHX2EGFRCCR3
SCHEMBL3580616 0.83 KMT2A (0.54) SMN1; SMN2
SCHEMBL3585968 0.81 L3MBTL1 (0.41) MAPTKDRHTR2ACCR3
SCHEMBL3587886 0.81 MAPT (0.51) MAPTHTR2ACCR3MCHR1
SCHEMBL3582962 0.80 BTK (0.43) MAPTKDREPHX2CCR3
SCHEMBL3576332 0.80 EPHX2 (0.46) EPHX2

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
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 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-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 SMN1; SMN2 3824/4885MAPT 1426/4885PRMT3 669/4885

“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.