SCHEMBL5115175

SCHEMBL5115175

C#Cc1ccsc1-c1nc2ccc(C)cn2c1NC(C)(C)C.c1cc2cc-2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.49
BRD4 O60885 1/20 0.45
TOP2A P11388 1/20 0.44
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40
ADRA1B P35368 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL5128154 0.83 NR1H4 (0.59) TRPA1GAAALDH1A1KDM4ETP53
SCHEMBL5127406 0.82 SALL4 (0.46) TRPA1BRD4GAAALDH1A1KDM4E
SCHEMBL5121835 0.81 NR1H4 (0.47) GAAALDH1A1KDM4ETP53NR1H4
SCHEMBL5115593 0.81 TRPA1 (0.47) TRPA1BRD4TOP2AGAAALDH1A1
SCHEMBL5116941 0.81 ALOX5 (0.43) GAAALDH1A1KDM4ENR1H4MEN1
SCHEMBL5119529 0.80 NR1H4 (0.62) GAAALDH1A1NR1H4ATM
SCHEMBL17052784 0.79 TRPA1 (0.76) TRPA1BRD4TOP2AALDH1A1TP53
SCHEMBL5121652 0.77 IDO1 (0.46) TRPA1BRD4TOP2AGAAALDH1A1
SCHEMBL5120419 0.75 BRD4 (0.46) TRPA1BRD4GAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5129013 0.75 ADRA1B (0.52) TRPA1BRD4TOP2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 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 (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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS TRPA1 3616/4885BRD4 83/4885TOP2A 2972/4885

“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.