SCHEMBL3580884

SCHEMBL3580884

COc1ccccc1CNC(=O)Nc1cncc(C#Cc2cnc(NCCCN3CCOCC3)nc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.45
QPCT Q16769 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
S1PR2 O95136 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRAF P15056 2/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 1/20 0.42
EPHX2 P34913 1/20 0.42
ACACB O00763 1/20 0.41
LCK P06239 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL13500275 0.89 SMN1; SMN2 (0.46) MCHR1QPCTALDH1A1CNR2SMN1; SMN2
SCHEMBL3581924 0.85 CNR2 (0.43) MCHR1QPCTALDH1A1CNR2SMN1; SMN2
SCHEMBL5276497 0.85 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3575312 0.84 NAMPT (0.39) SMN1; SMN2LMNAAURKAEPHX2LCK
SCHEMBL3574459 0.79 MAPK1 (0.53) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL3587191 0.78 CSNK2A1 (0.41) MCHR1ALDH1A1SMN1; SMN2EPHX2LCK
SCHEMBL3575970 0.78 AURKA (0.46) ALDH1A1SMN1; SMN2LMNAGAATHRB
SCHEMBL3574150 0.77 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTLCK
SCHEMBL13499919 0.76 EPHX2 (0.48) SMN1; SMN2LMNAMAPTAURKBEPHX2
SCHEMBL3663799 0.75 LCK (0.40) SMN1; SMN2LMNAAURKAEPHX2LCK

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-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 MCHR1 4033/4885QPCT 749/4885ALDH1A1 2198/4885

“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.