SCHEMBL2238098

SCHEMBL2238098

c1ccc(-c2nc(NCCc3cccnc3)cc(-c3cccnc3)n2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.53
HIF1A Q16665 2/20 0.49
GBA1 P04062 2/20 0.49
CYP2A6 P11509 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2242475 0.89 PTGDR (0.54) PTGDRHIF1AGBA1CYP2A6NPC1
SCHEMBL2240945 0.89 GBA1 (0.54) PTGDRHIF1AGBA1CYP2A6NPC1
SCHEMBL4775842 0.88 CYP3A4 (0.60) HIF1ACYP2A6ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL2237320 0.87 HIF1A (0.47) PTGDRHIF1AGBA1CYP2A6NPC1
SCHEMBL2237693 0.87 PTGDR (0.73) PTGDRCLK4KMT2A
SCHEMBL25315794 0.86 METAP1 (0.49) PTGDRHIF1ANPC1RAB9AALDH1A1
SCHEMBL30484177 0.86 METAP1 (0.49) PTGDRHIF1ANPC1RAB9AALDH1A1
SCHEMBL2239929 0.86 CYP3A4 (0.65) HIF1AGBA1CYP2A6NPC1ALDH1A1
SCHEMBL4771978 0.86 PTGDR (0.51) PTGDRALDH1A1SMN1; SMN2MAPTCYP3A4
SCHEMBL4768768 0.86 PTGDR (0.53) PTGDRHIF1ACYP2A6NPC1RAB9A

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 PTGDR 1588/4885HIF1A 1079/4885GBA1 4115/4885

“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.