SCHEMBL2239971

SCHEMBL2239971

O=S(=O)(CCNc1cc(-c2cccnc2)nc(-c2ccccn2)n1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PPP1CA P62136 1/20 0.53
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2A6 P11509 1/20 0.46
SLC2A1 P11166 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP19A1 P11511 1/20 0.41
PTGDR Q13258 1/20 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
SCHEMBL2241291 0.92 KMT2A (0.46) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9
SCHEMBL4773622 0.89 CYP2A6 (0.46) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9
SCHEMBL11968288 0.81 CLK4 (0.45) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9
SCHEMBL2238098 0.81 PTGDR (0.53) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9
SCHEMBL2240945 0.81 GBA1 (0.54) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9
SCHEMBL2239929 0.81 CYP3A4 (0.65) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9
SCHEMBL4771978 0.81 PTGDR (0.51) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9
SCHEMBL4768768 0.81 PTGDR (0.53) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9
SCHEMBL4773053 0.81 MTOR (0.44) SMN1; SMN2CYP3A4CYP2C9NPC1TP53
SCHEMBL4768757 0.80 PKM (0.44) SMN1; SMN2L3MBTL1PPP1CACYP3A4CYP2C9

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 SMN1; SMN2 1488/4885L3MBTL1 2361/4885PPP1CA 2485/4885

“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.