SCHEMBL4716238

SCHEMBL4716238

Cc1nc2sccn2c1NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX12 P18054 2/20 0.46
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL4720271 0.78 HSD17B10 (0.65) MAPTHSD17B10GAATP53
SCHEMBL21893409 0.76 ALOX12 (0.56) MAPK1TDP1CYP1A2ALOX12MAPT
SCHEMBL4720268 0.75 TSHR (0.43) HSD17B10ALDH1A1SMN1; SMN2ALOX15TP53
SCHEMBL4715680 0.73 IDO1 (0.62) MAPK1TDP1CYP1A2ALOX12MAPT
SCHEMBL6644642 0.71 BRAF (0.50) MAPK1MAPTHSD17B10ALDH1A1GAA
Hydrochloric Acid SCHEMBL10723931 0.69 MAPK1 (0.61) MAPK1TDP1CYP1A2ALOX12ALOX15
SCHEMBL2338659 0.68 MAPK1 (0.65) MAPK1TDP1CYP1A2ALOX12ALOX15
SCHEMBL10340126 0.68 DYRK1A (0.65) MAPK1TDP1CYP1A2ALOX12MAPT
SCHEMBL8081004 0.68 ALOX12 (0.63) MAPK1TDP1CYP1A2ALOX12MAPT
SCHEMBL13689299 0.68 MAPK1 (0.60) MAPK1TDP1CYP1A2ALOX12ALOX15

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 MAPK1 3328/4885TDP1 2290/4885CYP1A2 236/4885
US-20040023927-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 MAPK1 3328/4885TDP1 2290/4885CYP1A2 236/4885

“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.