SCHEMBL2237320

SCHEMBL2237320

c1ccc(-c2nc(NCCc3cnccn3)cc(-c3cccnc3)n2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.47
GBA1 P04062 1/20 0.47
CYP2A6 P11509 1/20 0.47
PTGDR Q13258 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 1/20 0.46
SLC2A1 P11166 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
MTOR P42345 1/20 0.42
CYP1A2 P05177 2/20 0.41
HDAC1 Q13547 2/20 0.41
KDM6B O15054 2/20 0.41
CHRNA1 P02708 2/20 0.41
MAOB P27338 2/20 0.41
OPRM1 P35372 2/20 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
SCHEMBL2240945 0.93 GBA1 (0.54) HIF1AGBA1CYP2A6PTGDRCYP3A4
SCHEMBL2238098 0.87 PTGDR (0.53) HIF1AGBA1CYP2A6PTGDRCYP3A4
SCHEMBL4769194 0.85 PTGDR (0.46) HIF1AGBA1CYP2A6PTGDRCYP3A4
SCHEMBL4773528 0.85 PTGDR (0.43) HIF1AGBA1CYP2A6PTGDRCYP3A4
SCHEMBL4773623 0.85 CYP3A4 (0.48) HIF1AGBA1CYP2A6PTGDRCYP3A4
SCHEMBL4771527 0.84 CYP3A4 (0.55) HIF1ACYP2A6CYP3A4CYP2C9SLC2A1
SCHEMBL4775854 0.83 METAP1 (0.47) HIF1AGBA1CYP2A6PTGDRCYP3A4
SCHEMBL2237295 0.83 CYP2A6 (0.45) HIF1AGBA1CYP2A6PTGDRCYP3A4
SCHEMBL2242475 0.83 PTGDR (0.54) HIF1AGBA1CYP2A6PTGDRCYP3A4
SCHEMBL4771450 0.81 NPC1 (0.52) CYP3A4CYP2C9SMN1; SMN2NPC1TP53

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 11 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
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 HIF1A 1079/4885GBA1 4115/4885CYP2A6 1225/4885

“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.