SCHEMBL361849

SCHEMBL361849

Oc1nc2nccn2c(O)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.39
CHEK1 O14757 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
MAP4K2 Q12851 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
AURKB Q96GD4 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NTRK1 P04629 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
SCHEMBL3702960 0.84 GRIA1 (0.38) ALDH1A1HPGDADORA2ACDK2RAB9A
SCHEMBL2978903 0.84 MAPT (0.42) MAP2K1CHEK1MAP4K4CSF1RPRKACA
SCHEMBL3704252 0.79 ADORA2A (0.41) MAP2K1GAAKDM4EADORA2ACCNE1
SCHEMBL15685795 0.73 MAP2K1 (0.38) MAP2K1CHEK1MAP4K4CSF1RPRKACA
SCHEMBL362078 0.73 ADORA3 (0.54) KDM4EALDH1A1HPGDADORA2AMAPT
SCHEMBL5252606 0.73 PDE2A (0.34) MAP2K1GAAKDM4EALDH1A1GLA
SCHEMBL868954 0.71 KDM4E (0.49) GAAKDM4EALDH1A1HPGDGLA
SCHEMBL361737 0.71 KDM4E (0.44) MAP2K1CHEK1MAP4K4CSF1RPRKACA
SCHEMBL2970268 0.70 ADORA2A (0.41) MAP2K1CHEK1MAP4K4CSF1RPRKACA
SCHEMBL5593135 0.69 EGLN2 (0.40) MAP2K1CCNE1CDK2GSK3BRAB9A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8614218-B2 Fused bicyclic pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
US-7776864-B2 Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG (DE) 2010-08-17 US disclosed
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-07-22 US disclosed
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US disclosed
EP-2050748-A1 Novel fused pyrimidines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP 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 (4 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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD MAP2K1 1173/4885CHEK1 183/4885MAP4K4 732/4885
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR MAP2K1 175/4885CHEK1 222/4885MAP4K4 300/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS MAP2K1 320/4885CHEK1 501/4885MAP4K4 512/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR MAP2K1 175/4885CHEK1 222/4885MAP4K4 300/4885

“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.