SCHEMBL5481701

SCHEMBL5481701

Cc1ccc(-c2cn(-c3nc(-c4cccc(N)c4)cn4ccnc34)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.50
SYK P43405 4/20 0.48
CD63 P08962 1/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
PIK3R1 P27986 2/20 0.43
PIK3CA P42336 2/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
GAA P10253 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
EPHB4 P54760 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
SCHEMBL6514368 0.81 EPHB4 (0.62) AURKAALDH1A1POLBRAB9ATP53
SCHEMBL5474899 0.79 HTR2C (0.44) ALDH1A1PIK3R1PIK3CARAB9ANPC1
SCHEMBL5477968 0.78 EPHB4 (0.56) AURKAALDH1A1POLBRAB9ATP53
SCHEMBL5477605 0.78 EPHB4 (0.58) AURKAEPHB4MAPT
SCHEMBL12514839 0.78 AURKA (0.79) AURKASYKCD63EPHB4
SCHEMBL5477740 0.77 AURKA (0.52) AURKASYKCD63ALDH1A1POLB
SCHEMBL5481932 0.75 AURKA (0.50) AURKASYKCD63ALDH1A1POLB
SCHEMBL4803454 0.75 ALDH1A1 (0.59) AURKASYKCD63ALDH1A1POLB
SCHEMBL5478220 0.72 EPHB4 (0.54) AURKAALDH1A1POLBRAB9ATP53
SCHEMBL5482286 0.71 EPHB4 (0.57) AURKATP53EPHB4

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-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
WO-2004072080-A1 CERTAIN 8-HETEROARYL-6-PHENYL-IMIDAZO[1,2-A]PYRAZINES AS MODULATORS OF HSP90 COMPLEX ACTIVITY CELLULAR GENOMICS, INC. (US) 2004-08-26 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-20050054649-A1 Certain 8-heteroaryl-6-phenyl-imidazo[1,2-A]pyrazines as modulators of Hsp90 complex activity HSP90AB1, HSP90AA1, HSPA9 AURKA 2642/4885SYK 778/4885CD63 3118/4885

“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.