SCHEMBL2239980

SCHEMBL2239980

c1ccc(-c2nc(NCCC3CNCCO3)cc(-c3cccnc3)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
ACP1 P24666 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
TGFBR1 P36897 1/20 0.40
TGFBR2 P37173 1/20 0.40
KDM6B O15054 2/20 0.40
CHRNA1 P02708 2/20 0.40
MAOB P27338 2/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
PDE4B Q07343 2/20 0.40
SCN5A Q14524 2/20 0.40
KDM2B Q8NHM5 2/20 0.40
KDM4C Q9H3R0 2/20 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
SCHEMBL4775879 0.75 KDM6A (0.44) KDM6BCHRNA1MAOBOPRM1OPRK1
SCHEMBL4777383 0.75 METAP1 (0.47) CYP3A4CYP2C9TGFBR1TGFBR2HIF1A
SCHEMBL30085889 0.75 CYP3A4 (0.45) CYP3A4CYP2C9KCNH2SYKAURKB
SCHEMBL28959731 0.75 CYP3A4 (0.45) CYP3A4CYP2C9KCNH2SYKAURKB
SCHEMBL2238098 0.74 PTGDR (0.53) CYP3A4CYP2C9SMN1; SMN2NPC1TP53
SCHEMBL2240945 0.74 GBA1 (0.54) CYP3A4CYP2C9SMN1; SMN2NPC1TP53
SCHEMBL2239929 0.74 CYP3A4 (0.65) CYP3A4CYP2C9SMN1; SMN2NPC1TP53
SCHEMBL2239971 0.74 SMN1; SMN2 (0.53) CYP3A4CYP2C9SMN1; SMN2NPC1TP53
SCHEMBL4774925 0.74 HDAC1 (0.40) CYP3A4CYP2C9SMN1; SMN2NPC1TP53
SCHEMBL2235626 0.74 HDAC1 (0.48) KDM6BCHRNA1MAOBOPRM1OPRK1

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 CYP3A4 1519/4885CYP2C9 1527/4885ACP1 1022/4885

“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.