SCHEMBL3587191

SCHEMBL3587191

O=C(NCc1ccccc1N1CCOCC1)Nc1cccc(C#Cc2cnc(NCCCN3CCCCC3)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
CCR3 P51677 4/20 0.40
HTR2A P28223 3/20 0.40
EPHX2 P34913 2/20 0.40
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MCHR1 Q99705 3/20 0.39
MCHR2 Q969V1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ADRA1A P35348 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13500280 0.89 DRD2 (0.47) CSNK2A1DRD2DRD3DRD4EPHX2
SCHEMBL3584955 0.88 GAA (0.41) CSNK2A1CCR3LCKSCN2ASCN10A
SCHEMBL3578235 0.83 SCN2A (0.45) CCR3LCKSCN2ASCN10AALDH1A1
SCHEMBL4717402 0.83 MCHR1 (0.51) CCR3HTR2AEPHX2MCHR1MCHR2
SCHEMBL3577243 0.81 LCK (0.45) EPHX2LCKMAPK14SMN1; SMN2
SCHEMBL3581939 0.81 FPR3 (0.42) CCR3HTR2ALCKMAPK14MCHR1
SCHEMBL3576468 0.80 TEK (0.49) CCR3LCKSCN2ASCN10A
SCHEMBL4716494 0.79 CCR3 (0.46) CCR3HTR2AMCHR1MCHR2
SCHEMBL3582962 0.78 BTK (0.43) CCR3EPHX2SCN2ASCN10AALDH1A1
SCHEMBL3580884 0.78 MCHR1 (0.45) EPHX2LCKMAPK14MCHR1SMN1; SMN2

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 CSNK2A1 1149/4885DRD2 3225/4885DRD3 3648/4885

“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.