SCHEMBL2598694

SCHEMBL2598694

Nc1ncc(Cc2ccc3[nH]ccc3c2)c(Nc2ccc3[nH]cnc3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.43
KDR P35968 3/20 0.41
PDGFRB P09619 1/20 0.41
FGFR2 P21802 1/20 0.41
FLT3 P36888 1/20 0.41
FLT1 P17948 6/20 0.41
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
ULK1 O75385 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAP3K11 Q16584 1/20 0.36
CDK1 P06493 2/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL2598775 0.91 KDR (0.48) EGFRKDRPDGFRBFGFR2FLT3
SCHEMBL14840075 0.86 LMNA (0.38) CYP3A4CYP2D6MAP3K11CDK1
SCHEMBL2598701 0.85 KDR (0.42) EGFRKDRPDGFRBFGFR2FLT3
SCHEMBL2598501 0.82 EGFR (0.45) EGFRKDRPDGFRBFGFR2FLT3
SCHEMBL2598697 0.82 EGFR (0.46) EGFRKDRFLT1PIK3CACDK1
SCHEMBL2598757 0.81 KDR (0.43) EGFRKDRPDGFRBFGFR2FLT3
SCHEMBL2598680 0.79 KDR (0.40) EGFRKDRPDGFRBFGFR2FLT3
SCHEMBL16495074 0.79 BACE1 (0.37) CDK1
SCHEMBL2598768 0.77 PIK3CA (0.46) EGFRKDRPDGFRBPIK3CAPIK3CG
SCHEMBL2598723 0.76 EGFR (0.44) EGFRKDRPDGFRBFGFR2FLT3

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 8 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-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US claimed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US 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
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 EGFR 2598/4885KDR 1568/4885PDGFRB 1346/4885

“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.