SCHEMBL5366749

SCHEMBL5366749

Cc1c(C)c2ccc(OCCCCO)nc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE2A O00408 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
P2RY12 Q9H244 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
XDH P47989 2/20 0.35
LOX P28300 1/20 0.35
AOC3 Q16853 1/20 0.35
CHEK1 O14757 1/20 0.33
PDE5A O76074 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TLR8 Q9NR97 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL5366409 0.83 ADORA2A (0.39) KDM4EKMT2AADORA2AADORA1PDE5A
SCHEMBL5364903 0.81 XDH (0.42) KDM4EKMT2APDE2APDE3BPDE3A
SCHEMBL5363463 0.79 BRD4 (0.43) PDE2APDE3BPDE3AP2RY12XDH
SCHEMBL5363087 0.75 PDE3B (0.39) KDM4EKMT2APDE2APDE3BPDE3A
SCHEMBL5363647 0.74 PDE3B (0.40) PDE2APDE3BPDE3AP2RY12XDH
SCHEMBL5369161 0.73 HTR1A (0.49) PDE2APDE3BPDE3AP2RY12XDH
SCHEMBL25430963 0.73 P2RX7 (0.38) KDM4EKMT2AADORA2AADORA1BRD4
SCHEMBL5372040 0.71 PDE3B (0.40) PDE2APDE3BPDE3AP2RY12XDH
SCHEMBL11591825 0.70 KDM4E (0.58) KDM4EKMT2AADORA2AADORA1XDH
SCHEMBL5369045 0.68 PDE3B (0.38) KDM4EKMT2APDE2APDE3BPDE3A

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 KDM4E 2772/4885KMT2A 1551/4885PDE2A 977/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 KDM4E 2772/4885KMT2A 1551/4885PDE2A 977/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 KDM4E 2772/4885KMT2A 1551/4885PDE2A 977/4885

“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.