SCHEMBL5556512

SCHEMBL5556512

Cc1ccc(-c2cc(N3CCOCC3)ncc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.51
CNR2 P34972 7/20 0.47
PIK3CA P42336 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AOC3 Q16853 1/20 0.45
DGAT1 O75907 1/20 0.45
HTT P42858 1/20 0.44
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SOS1 Q07889 1/20 0.43

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
SCHEMBL1399302 0.82 CNR2 (0.50) RETCNR2PIK3CAL3MBTL1ATM
SCHEMBL19145260 0.78 ALDH1A1 (0.51) RETPIK3CAL3MBTL1ATMKDM4E
SCHEMBL4672437 0.78 STK4 (0.47) CNR2L3MBTL1ATMKDM4EALDH1A1
SCHEMBL12864090 0.78 CNR2 (0.62) CNR2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3648791 0.75 CNR2 (0.66) RETCNR2L3MBTL1ATMHTT
SCHEMBL5556543 0.75 MEN1 (0.45) L3MBTL1ATMKDM4EALDH1A1MEN1
SCHEMBL19105541 0.73 SOS1 (0.48) RETCNR2PIK3CAL3MBTL1ATM
SCHEMBL21768414 0.72 HTT (0.50) RETPIK3CAL3MBTL1ATMKDM4E
SCHEMBL18356736 0.72 KDM4E (0.51) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL18356735 0.72 CYP11B2 (0.48) L3MBTL1KDM4EALDH1A1NPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656351-B1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-12-19 EP claimed
EP-1656351-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
WO-2005014549-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2005-02-17 WO claimed
US-20050014792-A1 Process for preparation of pyridine derivatives ROCHE PALO ALTO LLC 2005-01-20 US claimed
EP-1656351-B1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
US-7288658-B2 Process for preparation of pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-10-30 US disclosed
EP-1656351-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
WO-2005014549-A1 PROCESS FOR PREPARATION OF 4-ARYL-NICOTINAMIDE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2005-02-17 WO disclosed
US-20050014792-A1 Process for preparation of pyridine derivatives ROCHE PALO ALTO LLC 2005-01-20 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-20050014792-A1 Process for preparation of pyridine derivatives NOX3, KMO, PBK RET 3279/4885CNR2 1053/4885PIK3CA 1044/4885

“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.