SCHEMBL4716773

SCHEMBL4716773

Cc1cccc(C)c1Nc1c(-c2ccncc2)nc2sccn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.77
GAA P10253 14/20 0.77
TP53 P04637 5/20 0.67
THRB P10828 2/20 0.62
POLB P06746 2/20 0.61
IDO1 P14902 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
FGFR1 P11362 1/20 0.48
FRK P42685 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
GSK3B P49841 1/20 0.48
CSNK1G2 P78368 1/20 0.48
PRKCD Q05655 1/20 0.48
ERBB4 Q15303 1/20 0.48
MINK1 Q8N4C8 1/20 0.48

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
SCHEMBL6327366 0.87 GAA (0.69) MAPTGAATP53THRBPOLB
SCHEMBL4718082 0.81 GAA (0.66) MAPTGAATP53THRBPOLB
SCHEMBL4717778 0.73 ALOX5 (0.68) MAPTGAAIDO1SMN1; SMN2PRKD3
SCHEMBL21064028 0.71 IDO1 (0.72) MAPTGAATP53POLBIDO1
SCHEMBL7963701 0.69 GAA (0.71) MAPTGAATP53SMN1; SMN2HSD17B10
SCHEMBL4715055 0.68 IDO1 (1.00) MAPTGAATP53POLBIDO1
SCHEMBL4717796 0.67 IDO1 (0.79) MAPTGAATP53POLBIDO1
SCHEMBL24620602 0.66 IDO1 (0.65) MAPTGAATP53POLBIDO1
SCHEMBL18136533 0.66 IDO1 (0.61) MAPTGAATP53POLBIDO1
SCHEMBL1889693 0.65 RAB9A (0.66) MAPTGAATP53POLBSMN1; SMN2

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
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
US-6657064-B2 For use as analgesics GRUENENTHAL GMBH (DE) 2003-12-02 US claimed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US claimed
EP-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP disclosed
US-6936631-B2 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2005-08-30 US disclosed
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2004-02-05 US disclosed
US-6657064-B2 For use as analgesics GRUENENTHAL GMBH (DE) 2003-12-02 US disclosed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US disclosed
EP-1218383-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2001027118-A2 BICYCLIC IMIDAZO-5-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 (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-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 MAPT 3783/4885GAA 2494/4885TP53 4215/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 MAPT 3783/4885GAA 2494/4885TP53 4215/4885

“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.