SCHEMBL2238718

SCHEMBL2238718

COc1cccc(-c2cncc(-c3cc(CN)nc(-c4ccccn4)n3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.54
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
GRM5 P41594 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MGAT2 Q10469 1/20 0.43
HIF1A Q16665 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
TGFBR1 P36897 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TOP1 P11387 1/20 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
SCHEMBL2241181 0.92 FFAR1 (0.48) FFAR1NPC1PKMGRM5RAB9A
SCHEMBL2240885 0.89 FFAR1 (0.53) FFAR1NPC1PKMGRM5RAB9A
SCHEMBL3666895 0.87 NPC1 (0.47) FFAR1NPC1PKMGRM5RAB9A
SCHEMBL2237755 0.87 FFAR1 (0.43) FFAR1NPC1PKMGRM5RAB9A
SCHEMBL2240439 0.86 CYP11B1 (0.43) FFAR1NPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL3661108 0.85 NPC1 (0.54) FFAR1NPC1PKMGRM5RAB9A
SCHEMBL2238727 0.83 NPC1 (0.52) FFAR1NPC1PKMGRM5RAB9A
SCHEMBL2239406 0.82 FFAR1 (0.54) FFAR1NPC1PKMGRM5RAB9A
SCHEMBL2238514 0.82 FFAR1 (0.49) FFAR1NPC1PKMGRM5RAB9A
SCHEMBL3659157 0.82 FFAR1 (0.48) FFAR1NPC1PKMGRM5RAB9A

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 7 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
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

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 FFAR1 226/4885NPC1 3942/4885PKM 2218/4885

“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.