SCHEMBL5880679

SCHEMBL5880679

N#Cc1cccc(-c2csc(Nc3cnccn3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.56
ADORA2A P29274 3/20 0.56
ADORA1 P30542 3/20 0.56
NPC1 O15118 9/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP1B1 Q16678 1/20 0.53
TRPV4 Q9HBA0 1/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 4/20 0.48
MAPK1 P28482 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
LMNA P02545 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
SCHEMBL29427793 0.86 NPC1 (0.68) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL18029557 0.86 NPC1 (0.68) ADORA3ADORA2AADORA1NPC1RAB9A
SCHEMBL14742257 0.81 RAB9A (0.69) NPC1RAB9ASMN1; SMN2TP53TDP1
SCHEMBL12297753 0.78 MEN1 (0.69) NPC1RAB9ASMN1; SMN2TP53TDP1
SCHEMBL5880712 0.78 ADORA3 (0.68) ADORA3ADORA2AADORA1CYP1A2MAPK1
SCHEMBL28911583 0.76 MEN1 (0.59) SMN1; SMN2CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL30118286 0.76 MEN1 (0.59) SMN1; SMN2CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL23539902 0.76 CYP1A1 (0.52) NPC1RAB9ASMN1; SMN2CYP1A1CYP1A2
SCHEMBL16217116 0.76 MEN1 (0.58) NPC1RAB9ASMN1; SMN2TP53TDP1
SCHEMBL4102560 0.75 ADORA3 (0.63) ADORA3ADORA2AADORA1CYP1A2KDR

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
US-7109202-B2 Aminothaizoles and their use as adenosine receptor antagonists NOVARTIS AG (CH) 2006-09-19 US disclosed
EP-1339711-B1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-07-27 EP disclosed
US-20040053982-A1 Aminothaizoles and their use as adenosine receptor antagonists NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1339711-A1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2003-09-03 EP disclosed
WO-2002042298-A1 AMINOTHIAZOLES AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2002-05-30 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-20040053982-A1 Aminothaizoles and their use as adenosine receptor antagonists ADORA1, ADORA3, HCAR1 ADORA3 2/4885ADORA2A 6/4885ADORA1 1/4885

“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.