SCHEMBL5485439

SCHEMBL5485439

c1ccc(-c2nccn2-c2nc(-c3ccc(CN4CCOCC4)cc3)cn3ccnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.49
PIK3R1 P27986 3/20 0.49
HRH3 Q9Y5N1 3/20 0.42
PARP1 P09874 1/20 0.41
PDE10A Q9Y233 1/20 0.40
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ACP1 P24666 1/20 0.40
TGFBR1 P36897 2/20 0.39
AURKA O14965 1/20 0.39
DYRK1A Q13627 1/20 0.39
AKT1 P31749 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
SCHEMBL5484801 0.85 EPHB4 (0.52) PIK3CAPIK3R1ALDH1A1AURKA
SCHEMBL5479920 0.84 HIF1A (0.52) PIK3CAPIK3R1HDAC1ALDH1A1AURKA
SCHEMBL5486430 0.81 EPHB4 (0.57) PIK3CAPIK3R1AURKA
SCHEMBL5483301 0.80 RAF1 (0.50) PIK3CAPIK3R1ALDH1A1AURKA
SCHEMBL12752989 0.74 HRH3 (0.67) HRH3PARP1ALDH1A1TSHRDYRK1A
SCHEMBL5477740 0.72 AURKA (0.52) PIK3CAPIK3R1ALDH1A1TSHRAURKA
SCHEMBL1419912 0.72 DHODH (0.61) HRH3PARP1ALDH1A1
SCHEMBL5481483 0.71 EPHB4 (0.57) AURKA
SCHEMBL5485686 0.71 EPHB4 (0.55) PIK3CAPIK3R1AURKA
SCHEMBL12828981 0.69 PARP1 (0.49) HRH3PARP1ALDH1A1DYRK1A

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-7160885-B2 Certain 6, 8-(heteroaryl or aryl) disubstituted imidazo[1,2-a]pyrazines as modulators of Hsp90 complex activity CGI PHARMACEUTICALS, INC. (US) 2007-01-09 US claimed
US-20050054649-A1 Certain 8-heteroaryl-6-phenyl-imidazo[1,2-A]pyrazines as modulators of Hsp90 complex activity XEROX CORPORATION 2005-03-10 US claimed
US-7160885-B2 Certain 6, 8-(heteroaryl or aryl) disubstituted imidazo[1,2-a]pyrazines as modulators of Hsp90 complex activity CGI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-7160885-B2 Certain 6, 8-(heteroaryl or aryl) disubstituted imidazo[1,2-a]pyrazines as modulators of Hsp90 complex activity CGI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-7160885-B2 Certain 6, 8-(heteroaryl or aryl) disubstituted imidazo[1,2-a]pyrazines as modulators of Hsp90 complex activity CGI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-20050054649-A1 Certain 8-heteroaryl-6-phenyl-imidazo[1,2-A]pyrazines as modulators of Hsp90 complex activity XEROX CORPORATION 2005-03-10 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-20050054649-A1 Certain 8-heteroaryl-6-phenyl-imidazo[1,2-A]pyrazines as modulators of Hsp90 complex activity HSP90AB1, HSP90AA1, HSPA9 PIK3CA 3362/4885PIK3R1 2072/4885HRH3 1689/4885

“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.