SCHEMBL2239462

SCHEMBL2239462

CNc1cc(-c2cncc(-c3cccc(C(=O)NC4CCOCC4)c3)c2)nc(-c2ccccn2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.49
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
MAPK14 Q16539 2/20 0.46
TGFBR1 P36897 2/20 0.46
MTOR P42345 1/20 0.45
CNR2 P34972 1/20 0.44
PDE4B Q07343 3/20 0.43
GABRA5 P31644 2/20 0.42
DGAT2 Q96PD7 2/20 0.42
ITGA5 P08648 1/20 0.42
ABL1 P00519 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
PIP5K1C O60331 1/20 0.41
PIK3CA P42336 1/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
RIPK2 O43353 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
SCHEMBL2240097 0.92 TGFBR1 (0.52) ATRROCK2ROCK1MAPK14TGFBR1
SCHEMBL2241820 0.90 ATR (0.45) ATRROCK2ROCK1MAPK14TGFBR1
SCHEMBL2243570 0.83 FLT3 (0.52) ATRROCK2ROCK1TGFBR1ABL1
SCHEMBL2238351 0.82 TGFBR1 (0.49) ATRMAPK14TGFBR1MTORCNR2
SCHEMBL2240016 0.78 PIK3CA (0.46) TGFBR1PIK3CASCN9A
SCHEMBL2238776 0.78 HPGD (0.47) ATRROCK1ABL1
SCHEMBL2238366 0.77 TGFBR1 (0.49) ROCK1TGFBR1GABRA5ABL1
SCHEMBL11992421 0.77 KDM1A (0.51) ATRROCK2ROCK1MAPK14TGFBR1
SCHEMBL2239612 0.76 LRRK2 (0.42) TGFBR1CNR2PIK3CAACVR1LRRK2
SCHEMBL4773025 0.75 CYP2A6 (0.47) ATRPIK3CALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP claimed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US claimed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP claimed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 WO claimed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US disclosed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 EP disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK ATR 79/4885ROCK2 143/4885ROCK1 67/4885

“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.