SCHEMBL2240945

SCHEMBL2240945

c1ccc(CCNc2cc(-c3cccnc3)nc(-c3ccccn3)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.54
HIF1A Q16665 2/20 0.52
CYP1A2 P05177 3/20 0.49
CYP2A6 P11509 1/20 0.49
PTGDR Q13258 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
SLC2A1 P11166 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
APP P05067 2/20 0.44
MKNK1 Q9BUB5 1/20 0.43
CYP2D6 P10635 2/20 0.42

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
SCHEMBL2237320 0.93 HIF1A (0.47) GBA1HIF1ACYP1A2CYP2A6PTGDR
SCHEMBL4773623 0.90 CYP3A4 (0.48) GBA1HIF1ACYP1A2CYP2A6PTGDR
SCHEMBL2238098 0.89 PTGDR (0.53) GBA1HIF1ACYP1A2CYP2A6PTGDR
SCHEMBL4771527 0.88 CYP3A4 (0.55) HIF1ACYP1A2CYP2A6CYP3A4CYP2C9
SCHEMBL4773528 0.87 PTGDR (0.43) GBA1HIF1ACYP1A2CYP2A6PTGDR
SCHEMBL4769194 0.87 PTGDR (0.46) GBA1HIF1ACYP1A2CYP2A6PTGDR
SCHEMBL4775854 0.87 METAP1 (0.47) GBA1HIF1ACYP1A2CYP2A6PTGDR
SCHEMBL2242475 0.85 PTGDR (0.54) GBA1HIF1ACYP1A2CYP2A6PTGDR
SCHEMBL2237295 0.85 CYP2A6 (0.45) GBA1HIF1ACYP1A2CYP2A6PTGDR
SCHEMBL4771450 0.83 NPC1 (0.52) CYP3A4CYP2C9SMN1; SMN2NPC1RAB9A

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 12 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-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP 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
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 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 (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 GBA1 4115/4885HIF1A 1079/4885CYP1A2 929/4885

“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.