SCHEMBL2760897

SCHEMBL2760897

COc1cccc(-n2c[c]cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
ADRB1 P08588 1/20 0.46
MGLL Q99685 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
GFER P55789 1/20 0.42
FGFR1 P11362 1/20 0.42
CYP1A2 P05177 1/20 0.42
ACHE P22303 1/20 0.41
BCHE P06276 1/20 0.41
USP7 Q93009 1/20 0.41
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL2751894 0.84 CYP1B1 (0.45) NOTUMADRB1CA1CA2CA7
SCHEMBL4791401 0.82 NOTUM (0.51) NOTUMALDH1A1MAPTNPC1CYP1A2
SCHEMBL2760925 0.80 CYP1A2 (0.46) ADRB1MGLLCA1CA2CA7
SCHEMBL1492667 0.79 ADRB1 (0.43) NOTUMADRB1MGLLCA1CA2
SCHEMBL2753418 0.76 BRD9 (0.42) CA1CA2CA7CA9ALDH1A1
SCHEMBL2902806 0.75 NOTUM (0.50) NOTUMADRB1MGLLALDH1A1MAPT
SCHEMBL1897559 0.75 KEAP1 (0.50) NOTUMMGLLALDH1A1MAPTNPC1
SCHEMBL13835204 0.75 MGLL (0.42) MGLLCA1CA2CA9ALDH1A1
SCHEMBL29635591 0.74 NOTUM (0.63) NOTUMADRB1MGLLCA1CA2
SCHEMBL254803 0.74 NOTUM (0.63) NOTUMADRB1MGLLCA1CA2

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-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US claimed
US-7842695-B2 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2010-11-30 US disclosed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 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 (2 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-20070010531-A1 Substituted pyrazole compounds HTR3A, HTR1A, HTR1D NOTUM 4220/4885ADRB1 52/4885MGLL 4170/4885
US-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A NOTUM 235/4885ADRB1 756/4885MGLL 736/4885

“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.