SCHEMBL13341968

SCHEMBL13341968

CCn1nc(C)c(Br)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
APAF1 O14727 1/20 0.41
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.31
AGTR1 P30556 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22667104 0.79 APAF1 (0.41) MAPTGAAAPAF1HTTALDH1A1
SCHEMBL22151601 0.79 ADORA2A (0.42) MAPTGAAAPAF1ADORA2AADORA2B
SCHEMBL23400861 0.76 ADORA2A (0.41) APAF1ADORA2AADORA2BLMNA
SCHEMBL13177328 0.74 APAF1 (0.50) MAPTGAAAPAF1ADORA2AADORA2B
SCHEMBL11922643 0.72 HTT (0.42) MAPTAPAF1ADORA2AADORA2BHTT
SCHEMBL22125784 0.72 APAF1 (0.33) APAF1
SCHEMBL13990821 0.71 MAPT (0.45) MAPTGAAAPAF1ADORA2AADORA2B
SCHEMBL13683169 0.71 IKBKB (0.46) MAPTGAAAPAF1ADORA2AADORA2B
SCHEMBL18159974 0.68 ADORA2A (0.32) MAPTADORA2AADORA2BNPSR1
SCHEMBL23399265 0.68 ADORA2A (0.32) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723324-B2 Imidazo[1,2-A]pyridine anxiolytics SEPRACOR, INC. (US) 2010-05-25 US disclosed
US-7566725-B2 Imidazo[1,2-A] pyridine anxiolytics SEPRACOR INC. (US) 2009-07-28 US disclosed
US-7566725-B2 Imidazo[1,2-A] pyridine anxiolytics SEPRACOR INC. (US) 2009-07-28 US disclosed
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics SEPRACOR INC. (US) 2008-04-24 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 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-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS CNR1, CNR2, GABRA5 MAPT 1056/4885GAA 2781/4885APAF1 4655/4885
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics MTNR1B, ADORA2B, ADRA2B MAPT 1930/4885GAA 2658/4885APAF1 4771/4885

“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.