SCHEMBL2245647

SCHEMBL2245647

CNc1cc(-c2cncc(-c3ccc(OC)cc3)c2)nc(-c2cccc(C)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
MAP4K4 O95819 1/20 0.43
ACP1 P24666 2/20 0.42
TGFBR1 P36897 2/20 0.41
MAPK14 Q16539 2/20 0.41
ADORA3 P0DMS8 5/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2B P29275 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
THRB P10828 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2240447 0.90 ADORA1 (0.45) CYP11B1CYP11B2TGFBR1ADORA3NPC1
SCHEMBL2244227 0.86 TGFBR1 (0.42) TGFBR1MAPK14ADORA3MEN1NPC1
SCHEMBL2240891 0.84 NPC1 (0.48) CYP11B1CYP11B2MAP4K4ACP1ADORA3
SCHEMBL2240533 0.84 ADORA2A (0.42) TGFBR1ADORA2A
SCHEMBL2244967 0.83 CYP1A2 (0.44) CYP11B1CYP11B2TGFBR1ADORA3ADORA2B
SCHEMBL2245640 0.82 MAP4K4 (0.45) CYP11B1CYP11B2MAP4K4ACP1TGFBR1
SCHEMBL2240622 0.79 CHEK1 (0.49) TGFBR1NPC1RAB9A
SCHEMBL2238789 0.79 CYP2D6 (0.41) TGFBR1
SCHEMBL2237541 0.78 HPGD (0.45) MEN1NPC1RAB9AKMT2ACYP1A2
SCHEMBL2240368 0.78 ADORA2A (0.47) MAP4K4TGFBR1ADORA2AADORA1

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 CYP11B1 905/4885CYP11B2 871/4885MAP4K4 1452/4885

“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.