SCHEMBL3988964

SCHEMBL3988964

CC(=O)Oc1ccc2c(c1)Cc1sc(N)nc1-2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.69
FBP1 P09467 2/20 0.57
NPC1 O15118 1/20 0.55
TDP2 O95551 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHEK1 O14757 1/20 0.51
DAPK3 O43293 1/20 0.51
LTK P29376 1/20 0.51
MAPK8 P45983 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CDK8 P49336 1/20 0.51
LIMK1 P53667 1/20 0.51
CDK5 Q00535 1/20 0.51
DYRK1A Q13627 1/20 0.51
LRRK2 Q5S007 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL3994948 0.93 ADORA1 (0.59) ADORA1FBP1NPC1TDP2ALDH1A1
Iodide SCHEMBL3991649 0.88 ADORA1 (0.72) ADORA1FBP1ALDH1A1MAPTSMN1; SMN2
Iodide SCHEMBL3994593 0.82 ADORA1 (1.00) ADORA1NPC1TDP2ALDH1A1MAPT
SCHEMBL6235936 0.76 ADORA1 (0.66) ADORA1MAPTSMN1; SMN2CHEK1DAPK3
Iodide SCHEMBL3993066 0.75 ADORA1 (1.00) ADORA1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7655102 0.75 ADORA1 (0.65) ADORA1MAPTSMN1; SMN2CHEK1DAPK3
SCHEMBL6536539 0.74 MAPT (0.53) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
Iodide SCHEMBL3989936 0.74 ADORA1 (0.83) ADORA1FBP1CHEK1DAPK3LTK
Iodide SCHEMBL4960121 0.72 ADORA1 (0.69) ADORA1FBP1CHEK1DAPK3LTK
Iodide SCHEMBL3989408 0.72 ADORA1 (0.64) ADORA1FBP1CHEK1DAPK3LTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485655-B2 2-Aminothiazole allosteric enhancers of A1 adenosine receptors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-03 US disclosed
US-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-03 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-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors ADORA1, ADORA2A, ADORA2B ADORA1 1/4885FBP1 851/4885NPC1 3459/4885

“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.