SCHEMBL2238514

SCHEMBL2238514

COc1ccccc1-c1cncc(-c2cc(CN)nc(-c3ccccn3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GRM5 P41594 2/20 0.44
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
CHRNA7 P36544 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.40
PPP1CA P62136 1/20 0.40

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
SCHEMBL2244963 0.86 HSP90AA1 (0.39) FFAR1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL3662834 0.86 KDM4E (0.41) FFAR1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL2240885 0.83 FFAR1 (0.53) FFAR1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL2238520 0.83 ALDH1A1 (0.50) FFAR1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL2238718 0.82 FFAR1 (0.54) FFAR1SMN1; SMN2NPC1RAB9APKM
SCHEMBL2239683 0.80 FFAR1 (0.46) FFAR1KDM4EGRM5
SCHEMBL27572518 0.78 NPC1 (0.72) SMN1; SMN2NPC1TP53RAB9AKDM4E
SCHEMBL2241181 0.77 FFAR1 (0.48) FFAR1SMN1; SMN2NPC1RAB9APKM
SCHEMBL2241785 0.77 PIK3CD (0.43)
SCHEMBL2239935 0.74 ACVR1B (0.47) FFAR1KDM4EALDH1A1

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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 US 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

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 226/4885SMN1; SMN2 1488/4885NPC1 3942/4885

“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.