SCHEMBL5481019

SCHEMBL5481019

COc1cc(C(=O)Nc2cccc(-c3cn4ccnc4c(-n4ccnc4-c4ccc(C)cc4)n3)c2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.53
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.50
EPHB4 P54760 3/20 0.49
BTK Q06187 1/20 0.49
AURKA O14965 1/20 0.47

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
SCHEMBL5477850 0.95 SYK (0.56) SYKPOLBTP53MAPTKDM4E
SCHEMBL5477644 0.89 THRB (0.54) SYKPOLBTP53MAPTKDM4E
SCHEMBL5482107 0.86 POLB (0.56) SYKPOLBTP53KDM4EALDH1A1
SCHEMBL5483360 0.84 AURKA (0.56) SYKPOLBTP53MAPTKDM4E
SCHEMBL5477799 0.83 BTK (0.61) SYKPOLBTP53MAPTKDM4E
SCHEMBL5481231 0.81 BTK (0.59) SYKPOLBTP53MAPTKDM4E
SCHEMBL5480930 0.81 BTK (0.59) SYKPOLBTP53MAPTKDM4E
SCHEMBL5482708 0.80 BTK (0.54) SYKPOLBTP53MAPTKDM4E
SCHEMBL5477330 0.78 EPHB4 (0.64) SYKEPHB4BTK
SCHEMBL5485854 0.77 EPHB4 (0.56) EPHB4AURKA

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 7 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
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 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 SYK 778/4885POLB 4557/4885TP53 152/4885

“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.