SCHEMBL3575815

SCHEMBL3575815

NCc1cncnc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
JAK3 P52333 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTK2 Q05397 1/20 0.42
LRRK2 Q5S007 9/20 0.41
CHEK1 O14757 1/20 0.41
PDPK1 O15530 1/20 0.41
MAPK1 P28482 1/20 0.41
PAK1 Q13153 1/20 0.41
PIK3CA P42336 3/20 0.40
MAP4K4 O95819 1/20 0.40
STK4 Q13043 2/20 0.39
STK3 Q13188 2/20 0.39
PDE10A Q9Y233 1/20 0.39
PKM P14618 1/20 0.39
MTOR P42345 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
SCHEMBL15308509 0.84 MEN1 (0.46) KDM4EGAAJAK3MEN1KMT2A
SCHEMBL23344648 0.80 MEN1 (0.43) KDM4EGAAJAK3MEN1KMT2A
SCHEMBL16702828 0.78 KDM4E (0.57) KDM4EGAAJAK3MEN1KMT2A
SCHEMBL7708555 0.77 GAA (0.50) GAAPTK2LRRK2MAPK1STK4
Hydrochloric Acid SCHEMBL7714267 0.76 GAA (0.49) GAAPTK2LRRK2MAPK1PIK3CA
SCHEMBL30912112 0.75 KDM4E (0.44) KDM4EGAALRRK2PIK3CASTK4
SCHEMBL23328000 0.75 KDM4E (0.44) KDM4EGAALRRK2PIK3CASTK4
SCHEMBL16646727 0.75 MEN1 (0.49) KDM4EGAAJAK3MEN1KMT2A
SCHEMBL17364448 0.75 KDM4E (0.58) KDM4EGAAJAK3MEN1KMT2A
SCHEMBL30775415 0.75 KDM4E (0.58) KDM4EGAAJAK3MEN1KMT2A

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
CN-101137652-A Pyrimidine compounds having tie2 (tek) inhibitory activity ASTRAZENECA AB (SE) 2008-03-05 CN 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 KDM4E 524/4885GAA 1653/4885JAK3 129/4885

“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.