SCHEMBL2598577

SCHEMBL2598577

Nc1nc(Nc2ccc3[nH]ccc3c2)ncc1Cc1ccc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.46
FGFR2 P21802 1/20 0.46
FLT3 P36888 1/20 0.46
ULK1 O75385 3/20 0.45
CDK1 P06493 2/20 0.45
KDR P35968 2/20 0.45
EGFR P00533 5/20 0.43
PLK2 Q9NYY3 1/20 0.42
IGF1R P08069 1/20 0.42
WEE1 P30291 1/20 0.41
PRKCI P41743 1/20 0.41

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
SCHEMBL2598649 0.93 ROCK2 (0.45) SYKFGFR2FLT3ULK1CDK1
SCHEMBL2598599 0.91 CDK1 (0.46) SYKFGFR2FLT3ULK1CDK1
SCHEMBL16494281 0.84 SYK (0.43) SYKULK1CDK1KDREGFR
SCHEMBL2598786 0.83 PLK2 (0.41) SYKULK1CDK1KDRPLK2
SCHEMBL2598633 0.82 BACE1 (0.43)
SCHEMBL2598775 0.81 KDR (0.48) SYKFGFR2FLT3ULK1KDR
SCHEMBL16339192 0.81 DHFR (0.57)
SCHEMBL16495203 0.81 MAP3K14 (0.39) ULK1CDK1KDR
SCHEMBL16494884 0.81 MAP3K14 (0.39) SYKULK1CDK1KDRPLK2
SCHEMBL16494936 0.81 P2RX7 (0.37) CDK1KDR

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 SYK 3374/4885FGFR2 1592/4885FLT3 427/4885

“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.