SCHEMBL2598663

SCHEMBL2598663

Cc1cc2cc(Nc3nc(N)nc(C)c3Cc3ccc4[nH]ccc4c3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
PDGFRB P09619 1/20 0.47
EGFR P00533 4/20 0.43
FLT1 P17948 1/20 0.38
FGFR2 P21802 1/20 0.38
FLT3 P36888 1/20 0.38
VCP P55072 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2A6 P11509 1/20 0.37
KEAP1 Q14145 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SYK P43405 3/20 0.37
LMNA P02545 1/20 0.36
P2RX3 P56373 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
SCHEMBL2598501 0.83 EGFR (0.45) KDRPDGFRBEGFRFLT1FGFR2
SCHEMBL2598723 0.77 EGFR (0.44) KDRPDGFRBEGFRFLT1FGFR2
SCHEMBL2598716 0.77 ULK1 (0.37) KDRPDGFRBEGFRFGFR2FLT3
SCHEMBL2598599 0.76 CDK1 (0.46) KDREGFRFGFR2FLT3VCP
SCHEMBL2598775 0.73 KDR (0.48) KDRPDGFRBEGFRFLT1FGFR2
SCHEMBL2598616 0.72 LMNA (0.41) VCPMAPTMEN1POLBKMT2A
SCHEMBL12520610 0.72 EGFR (0.43) KDRPDGFRBEGFRVCPMAPT
SCHEMBL12520771 0.71 EGFR (0.42) EGFRKMT2A
SCHEMBL12185486 0.70 DOT1L (0.48) VCPMAPTMEN1POLBKMT2A
SCHEMBL2598645 0.70 MAPKAPK2 (0.47) EGFRVCPCACNA2D1SYK

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 KDR 1568/4885PDGFRB 1346/4885EGFR 2598/4885

“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.