SCHEMBL3575069

SCHEMBL3575069

O=C(NCc1ccccc1N1CCOCC1)Nc1ncc(Br)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 2/20 0.48
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.43
BRD4 O60885 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
FBP1 P09467 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3570380 0.85 SCN2A (0.46) ATG4BSCN2ASCN10ARXFP1BRD4
SCHEMBL13500281 0.83 HCAR1 (0.47) ATG4BSCN2ASCN10AGAABRD4
SCHEMBL3576886 0.81 SCN2A (0.41) ATG4BSCN2ASCN10ARXFP1GAA
SCHEMBL3586017 0.77 SCN2A (0.41) SCN2ASCN10ARXFP1BRD4BRD9
SCHEMBL6282357 0.74 CDK2 (0.67) ATG4BCCNE1CDK2CDK5MEN1
SCHEMBL2939291 0.73 SCN2A (0.54) SCN2ASCN10AGAABRD4BRD9
SCHEMBL5281170 0.72 SCN2A (0.53) SCN2ASCN10AGAABRD4BRD9
SCHEMBL13500262 0.72 SCN2A (0.47) SCN2ASCN10ANAMPTPOLBCYP3A4
SCHEMBL3578235 0.72 SCN2A (0.45) SCN2ASCN10AMEN1KMT2ANAMPT
SCHEMBL3575251 0.71 SCN2A (0.49) SCN2ASCN10ABRD4BRD9NAMPT

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 ATG4B 4433/4885SCN2A 4543/4885SCN10A 4171/4885

“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.