SCHEMBL2238231

SCHEMBL2238231

CNc1cc(-c2cncc(-c3cccc(CN4CCCC4)c3)c2)nc(-c2cccc(C)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.38
DYRK1A Q13627 5/20 0.37
GSK3B P49841 3/20 0.37
PIK3CD O00329 2/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
PDE2A O00408 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
S1PR1 P21453 1/20 0.36
WNT1 P04628 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
TGFBR1 P36897 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ACP1 P24666 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL2240380 0.93 GSK3B (0.40) DYRK1AGSK3BWNT1
SCHEMBL2307480 0.92 PIK3CD (0.42) DYRK1AGSK3BPIK3CDPIK3CACNR1
SCHEMBL2238789 0.91 CYP2D6 (0.41) TMEM97DYRK1AGSK3BPIK3CDPIK3R1
SCHEMBL2238208 0.88 KDR (0.41) TMEM97DYRK1AGSK3BPDE2AS1PR1
SCHEMBL2239545 0.84 TGFBR1 (0.41) DYRK1AGSK3BTGFBR1
SCHEMBL2239526 0.83 IRAK4 (0.45) DYRK1AGSK3BPIK3CATGFBR1ADORA2A
SCHEMBL3725450 0.81 NMT1 (0.41) DYRK1AGSK3BWNT1
SCHEMBL2235617 0.80 ADORA2A (0.44) CLK2ADORA2AADORA1
SCHEMBL2239612 0.80 LRRK2 (0.42) DYRK1AGSK3BPIK3CDPIK3CATGFBR1
SCHEMBL2241844 0.78 TGFBR1 (0.45) DYRK1AWNT1CLK2CLK3TGFBR1

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 TMEM97 4679/4885DYRK1A 3855/4885GSK3B 2623/4885

“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.