SCHEMBL968661

SCHEMBL968661

Cc1cc(N2CCOCC2)nc(C)c1NC(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.52
PIK3CD O00329 5/20 0.52
PIK3CB P42338 5/20 0.52
PIK3CG P48736 3/20 0.52
PIK3CA P42336 3/20 0.52
WNT3A P56704 1/20 0.51
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MCHR1 Q99705 1/20 0.47
CYP3A4 P08684 3/20 0.46
TP53 P04637 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL970919 0.92 WNT3A (0.52) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL30795276 0.92 WNT3A (0.52) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL971761 0.91 GAA (0.56) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL973883 0.90 PIK3CD (0.54) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL30824698 0.90 PIK3CD (0.54) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL973838 0.89 WNT3A (0.50) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL971254 0.89 SMN1; SMN2 (0.55) AKT1PIK3CDPIK3CBPIK3CAWNT3A
SCHEMBL30795411 0.89 SMN1; SMN2 (0.55) AKT1PIK3CDPIK3CBPIK3CAWNT3A
SCHEMBL30794865 0.89 WNT3A (0.50) AKT1PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL971267 0.89 AKT1 (0.52) AKT1PIK3CDPIK3CBPIK3CGPIK3CA

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-2298766-B1 Pharmaceutical formulations comrpising a substituted pyridine derivative LUNDBECK & CO AS H (DK) 2013-09-18 EP claimed
EP-2298766-A1 Substituted pyridine derivatives H. Lundbeck A/S (DK) 2011-03-23 EP claimed
US-7812020-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US claimed
EP-2298766-B1 Pharmaceutical formulations comrpising a substituted pyridine derivative LUNDBECK & CO AS H (DK) 2013-09-18 EP disclosed
US-8299071-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
EP-2298766-A1 Substituted pyridine derivatives H. Lundbeck A/S (DK) 2011-03-23 EP disclosed
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-01-06 US disclosed
US-7812020-B2 Substituted pyridine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US disclosed
US-20080318953-A1 Substituted Pyridine Derivatives H. LUNDBECK A/S (DK) 2008-12-25 US disclosed
EP-1861394-A1 SUBSTITUTED PYRIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-12-05 EP disclosed
WO-2006092143-A1 SUBSTITUTED PYRIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-09-08 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 (2 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-20080318953-A1 Substituted Pyridine Derivatives KCNQ2, KCNQ1, KCNQ5 AKT1 4427/4885PIK3CD 1381/4885PIK3CB 1169/4885
US-20110003811-A1 SUBSITUTED PYRIDINE DERIVATIVES KCNQ2, KCNQ1, KCNQ5 AKT1 3936/4885PIK3CD 1723/4885PIK3CB 1666/4885

“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.