SCHEMBL5363555

SCHEMBL5363555

Cc1nc(S(C)(=O)=O)nc2[nH]c(=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
ADORA1 P30542 4/20 0.34
LMNA P02545 3/20 0.34
ADORA2A P29274 3/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
BPTF Q12830 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
THRB P10828 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
FEN1 P39748 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL8805431 0.79 PDE3B (0.44) PDE3BPDE3AADORA1LMNAADORA2A
SCHEMBL27174484 0.76 PDE3B (0.42) PDE3BPDE3AADORA1ADORA2AKDM4E
SCHEMBL30696260 0.76 PDE3B (0.42) PDE3BPDE3AADORA1ADORA2AKDM4E
SCHEMBL29755443 0.75 PDE3B (0.39) PDE3BPDE3AADORA1LMNAADORA2A
SCHEMBL25230805 0.75 PDE3B (0.41) PDE3BPDE3AADORA1LMNAADORA2A
SCHEMBL29537011 0.75 PDE3B (0.41) PDE3BPDE3AADORA1LMNAADORA2A
SCHEMBL5121034 0.73 PDE3B (0.40) PDE3BPDE3AADORA1LMNAADORA2A
SCHEMBL4764310 0.73 MAPK8 (0.38) PDE3BPDE3ALMNAKDM4EKMT2A
SCHEMBL5373468 0.73 PIK3CA (0.37) ADORA1LMNAADORA2AKDM4EKMT2A
SCHEMBL11471654 0.72 PDE3B (0.47) PDE3BPDE3AADORA1LMNAADORA2A

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
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
WO-2006090272-A1 ISOQUINOLINE [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-08-31 WO disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 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 (3 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 PDE3B 1360/4885PDE3A 1371/4885ADORA1 485/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PDE3B 1360/4885PDE3A 1371/4885ADORA1 485/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PDE3B 1360/4885PDE3A 1371/4885ADORA1 485/4885

“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.