SCHEMBL2598704

SCHEMBL2598704

Nc1ncc(Cc2ccc3[nH]ccc3c2)c(NCc2ccc3[nH]c4ccccc4c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.39
KDR P35968 2/20 0.38
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
PDGFRB P09619 1/20 0.38
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.36
F2 P00734 1/20 0.36
HDAC1 Q13547 1/20 0.36
AURKA O14965 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
APP P05067 1/20 0.35
GABRA1 P14867 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
SCHEMBL16495018 0.86 HTR6 (0.42) PRKCQKDRLMNATDP1MEN1
SCHEMBL2598749 0.86 PRKCQ (0.40) PRKCQKDRABL1SRCGSK3B
SCHEMBL2598814 0.85 BACE1 (0.40) PRKCQABL1SRCLMNATDP1
SCHEMBL2598616 0.83 LMNA (0.41) ABL1SRCLMNATDP1MEN1
SCHEMBL2598674 0.82 CLK1 (0.40) KDRABL1SRCLMNATDP1
SCHEMBL2598783 0.82 IP6K1 (0.45) PRKCQKDRPDGFRBGSK3BF2
SCHEMBL14840075 0.82 LMNA (0.38) PRKCQABL1SRCLMNATDP1
SCHEMBL16494484 0.81 LMNA (0.40) PRKCQKDRABL1SRCEGFR
SCHEMBL16494320 0.81 INSR (0.40) KDRABL1SRCLMNATDP1
SCHEMBL16494883 0.80 KDR (0.44) PRKCQKDRABL1SRCPDGFRB

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
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 PRKCQ 3076/4885KDR 1568/4885ABL1 2100/4885

“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.