SCHEMBL5372273

SCHEMBL5372273

O=C1CCc2cnc(Cl)cc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 6/20 0.41
CYP19A1 P11511 3/20 0.41
MAOB P27338 7/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 1/20 0.40
TBXAS1 P24557 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CMA1 P23946 1/20 0.40
AHR P35869 1/20 0.40
MAOA P21397 5/20 0.39
CRBN Q96SW2 1/20 0.39
PKM P14618 1/20 0.37

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
SCHEMBL25208436 0.86 CYP11B1 (0.43) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL30893038 0.86 CYP11B1 (0.43) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL30809183 0.84 AHR (0.53) CYP11B1CYP11B2MAOBCYP1A2PDE3B
SCHEMBL659822 0.84 AHR (0.53) CYP11B1CYP11B2MAOBCYP1A2PDE3B
SCHEMBL14494367 0.79 CA9 (0.46) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL26604966 0.79 CYP11B1 (0.48) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL18237966 0.78 CA9 (0.42) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL30993146 0.75 CYP11B1 (0.46) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL23302034 0.74 MB (0.49) CYP11B1CYP11B2PDE3BPDE3ACMA1
SCHEMBL19278654 0.73 CA9 (0.52) CA9NPC1MAPK13MAPK12MAPK11

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 6 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
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 CA9 4298/4885NPC1 1164/4885MAPK13 3370/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 CA9 4298/4885NPC1 1164/4885MAPK13 3370/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 CA9 4298/4885NPC1 1164/4885MAPK13 3370/4885

“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.