SCHEMBL4720271

SCHEMBL4720271

O=C(O)CNc1c(-c2ccccc2)nc2sccn12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
IDO1 P14902 3/20 0.61
NTRK1 P04629 2/20 0.57
MAPT P10636 6/20 0.56
GAA P10253 6/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 1/20 0.49
PTGS2 P35354 5/20 0.48
THRB P10828 1/20 0.47
PTGS1 P23219 2/20 0.46
NR1I3 Q14994 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43

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
SCHEMBL21064028 0.79 IDO1 (0.72) HSD17B10IDO1NTRK1MAPTGAA
SCHEMBL4716238 0.78 MAPK1 (0.49) HSD17B10MAPTGAATP53
SCHEMBL24620602 0.77 IDO1 (0.65) HSD17B10IDO1NTRK1MAPTGAA
SCHEMBL6644562 0.75 ALDH1A1 (0.67) HSD17B10NTRK1MAPTGAAPTGS2
SCHEMBL22761661 0.75 HSD17B10 (0.59) HSD17B10IDO1NTRK1MAPTGAA
SCHEMBL4720268 0.73 TSHR (0.43) HSD17B10IDO1NTRK1TP53POLB
SCHEMBL22648873 0.73 DYRK1A (0.56) HSD17B10IDO1NTRK1MAPTGAA
Hydrochloric Acid SCHEMBL18128822 0.73 IDO1 (0.56) HSD17B10IDO1NTRK1MAPTGAA
SCHEMBL7851176 0.72 PTGS2 (0.76) HSD17B10IDO1NTRK1MAPTGAA
SCHEMBL4715464 0.72 ALOX5 (0.69) HSD17B10IDO1NTRK1MAPTGAA

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-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP claimed
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
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

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 HSD17B10 4012/4885IDO1 631/4885NTRK1 2468/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 HSD17B10 4012/4885IDO1 631/4885NTRK1 2468/4885

“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.