SCHEMBL6645121

SCHEMBL6645121

Cc1cccc(C)c1Nc1c(-c2ccco2)nc2ccccn12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 17/20 0.71
MAPT P10636 8/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
HPGD P15428 6/20 0.71
TP53 P04637 5/20 0.71
ALDH1A1 P00352 8/20 0.70
KDM4E B2RXH2 6/20 0.70
HTT P42858 5/20 0.70
NPY1R P25929 1/20 0.64
NPY2R P49146 1/20 0.64
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PKM P14618 5/20 0.55
PKLR P30613 3/20 0.55
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.53
ATM Q13315 1/20 0.53
GFER P55789 2/20 0.51

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
SCHEMBL1966999 0.82 GAA (1.00) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL20889799 0.79 GAA (0.67) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL20889727 0.78 GAA (0.77) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL20889290 0.78 GAA (0.65) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL20889563 0.75 GAA (0.76) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL14421383 0.75 PKM (0.79) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL1966995 0.75 ADORA1 (0.63) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL2611912 0.75 GAA (0.61) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL20889704 0.74 GAA (0.66) GAAMAPTSMN1; SMN2HPGDTP53
SCHEMBL20889798 0.74 NR1H4 (0.71) GAAMAPTSMN1; SMN2HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP claimed
US-6638933-B2 Analgesics GRUENENTHAL GMBH (DE) 2003-10-28 US claimed
JP-2003511451-A 2003-03-25 JP claimed
EP-1218382-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2001027111-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 WO claimed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed
EP-1218382-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-01-28 EP disclosed
US-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives GRUENENTHAL GMBH 2003-01-23 US disclosed
EP-1218382-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027111-A2 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 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-20030018032-A1 Bicyclic imidazo-3-yl-amine derivatives OPRK1, IPO4, GRIN3A GAA 3278/4885MAPT 1832/4885SMN1; SMN2 2223/4885

“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.