SCHEMBL6941291

SCHEMBL6941291

CNCc1nc2cc3c(cc2[nH]1)OCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.50
PKM P14618 1/20 0.49
TPH1 P17752 3/20 0.42
TPH2 Q8IWU9 3/20 0.42
BRS3 P32247 4/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
ATM Q13315 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
SCHEMBL12111153 0.83 GAA (0.56) PDE10ATPH1TPH2BRS3MEN1
SCHEMBL6941285 0.77 PKM (0.44) PDE10APKMBRS3MEN1KMT2A
Hydrochloric Acid SCHEMBL27136123 0.76 PDE10A (0.56) PDE10APKMTPH1TPH2BRS3
SCHEMBL16188974 0.76 KMT2A (0.64) PDE10APKMMEN1KMT2AMAPT
SCHEMBL8325831 0.74 PKM (0.54) PDE10APKMRAB9AMEN1KMT2A
SCHEMBL3478941 0.74 CHRNB2 (0.45) PDE10APKMNPC1RAB9AMEN1
SCHEMBL21034664 0.74 AAK1 (0.50) PDE10ATPH1TPH2BRS3NPC1
SCHEMBL12111158 0.73 GAA (0.56) PDE10ATPH1TPH2BRS3MEN1
SCHEMBL7332580 0.72 F10 (0.53) PDE10APKMNPC1RAB9AMEN1
SCHEMBL16188989 0.71 GAA (0.53) PDE10APKMMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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 (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-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST PDE10A 792/4885PKM 4426/4885TPH1 4561/4885

“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.