SCHEMBL2598680

SCHEMBL2598680

Cc1cc2cc(Nc3nc(N)ncc3Cc3ccc4[nH]ccc4c3)ccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.40
PDGFRB P09619 1/20 0.40
FGFR2 P21802 1/20 0.39
FLT3 P36888 1/20 0.39
EGFR P00533 10/20 0.39
FLT1 P17948 2/20 0.38
PRKD1 Q15139 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SYK P43405 3/20 0.36
P2RX3 P56373 1/20 0.36
PLK2 Q9NYY3 1/20 0.35
ULK1 O75385 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 0.88 KDR (0.48) KDRPDGFRBFGFR2FLT3EGFR
SCHEMBL2598501 0.83 EGFR (0.45) KDRPDGFRBFGFR2FLT3EGFR
SCHEMBL2598701 0.81 KDR (0.42) KDRPDGFRBFGFR2FLT3EGFR
SCHEMBL2598757 0.80 KDR (0.43) KDRPDGFRBFGFR2FLT3EGFR
SCHEMBL14839833 0.80 BACE1 (0.33) EGFR
SCHEMBL2598694 0.79 EGFR (0.43) KDRPDGFRBFGFR2FLT3EGFR
SCHEMBL2598723 0.77 EGFR (0.44) KDRPDGFRBFGFR2FLT3EGFR
SCHEMBL12185893 0.73 EGFR (0.52) EGFRPRKD1SYK
SCHEMBL2598768 0.72 PIK3CA (0.46) KDRPDGFRBEGFRSYK
SCHEMBL2598577 0.71 SYK (0.46) KDRFGFR2FLT3EGFRSYK

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 1346/4885FGFR2 1592/4885

“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.