SCHEMBL5483301

SCHEMBL5483301

O=C(Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3)n2)c1)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.50
BRAF P15056 3/20 0.50
EPHB4 P54760 2/20 0.48
BTK Q06187 1/20 0.47
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
CNR2 P34972 1/20 0.45
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
SYK P43405 2/20 0.44
ABL1 P00519 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL5479920 0.93 HIF1A (0.52) RAF1BRAFEPHB4BTKPIK3R1
SCHEMBL5484801 0.88 EPHB4 (0.52) EPHB4PIK3R1PIK3CAAURKAKDM4E
SCHEMBL5477799 0.85 BTK (0.61) EPHB4BTKAURKASMN1; SMN2KDM4E
SCHEMBL5486430 0.83 EPHB4 (0.57) EPHB4PIK3R1PIK3CAAURKA
SCHEMBL5483360 0.80 AURKA (0.56) EPHB4BTKAURKASMN1; SMN2KDM4E
SCHEMBL5485439 0.80 PIK3CA (0.49) PIK3R1PIK3CAAURKAALDH1A1
SCHEMBL5481231 0.80 BTK (0.59) EPHB4BTKAURKASMN1; SMN2KDM4E
SCHEMBL5480930 0.80 BTK (0.59) EPHB4BTKAURKASMN1; SMN2KDM4E
SCHEMBL5482708 0.78 BTK (0.54) EPHB4BTKAURKASMN1; SMN2KDM4E
SCHEMBL5477850 0.77 SYK (0.56) EPHB4BTKAURKAKDM4EPOLB

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 RAF1 150/4885BRAF 171/4885EPHB4 4724/4885

“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.