SCHEMBL2598786

SCHEMBL2598786

Nc1nc(Nc2cccc3[nH]ccc23)ncc1Cc1ccc2[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 1/20 0.41
PIK3CA P42336 3/20 0.40
MTOR P42345 2/20 0.40
SYK P43405 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPK1 P28482 1/20 0.37
DHFR P00374 1/20 0.37
CDK1 P06493 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
ULK1 O75385 1/20 0.36

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
SCHEMBL2598631 0.92 PIK3CA (0.42) PLK2PIK3CAMTORSYKPIK3CD
SCHEMBL2598707 0.90 EPHB4 (0.42) PIK3CASYKPIK3CDPIK3CBPIK3CG
SCHEMBL16495033 0.89 SYK (0.39) PLK2PIK3CAMTORSYKDHFR
SCHEMBL14839950 0.88 PLK2 (0.39) PLK2PIK3CAMTORSYKPIK3CD
SCHEMBL16495205 0.88 KDR (0.35) PLK2DHFRCDK1KDRULK1
SCHEMBL16494735 0.86 KDR (0.34) PLK2PIK3CAMTORSYKDHFR
SCHEMBL16494296 0.86 SYK (0.40) PLK2SYKDHFRCDK1KDR
SCHEMBL16494936 0.86 P2RX7 (0.37) DHFRCDK1KDR
SCHEMBL16495173 0.86 EGFR (0.35) DHFRCDK1KDRULK1
SCHEMBL16494884 0.86 MAP3K14 (0.39) PLK2SYKDHFRCDK1KDR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP claimed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US claimed
EP-2571867-A1 NOVEL PYRIMIDINE DERIVATIVES Chemilia AB (SE) 2013-03-27 EP claimed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP claimed
WO-2011144742-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2011-11-24 WO claimed
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
EP-2571867-A1 NOVEL PYRIMIDINE DERIVATIVES Chemilia AB (SE) 2013-03-27 EP disclosed
EP-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed
WO-2011144742-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2011-11-24 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-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP PLK2 1316/4885PIK3CA 1629/4885MTOR 2587/4885

“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.