SCHEMBL5485705

SCHEMBL5485705

O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3F)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 13/20 0.57
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.51
AURKA O14965 2/20 0.51
CNR1 P21554 2/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL5482732 0.94 EPHB4 (0.52) EPHB4MAPTKDM4EALDH1A1POLB
SCHEMBL5488379 0.91 EPHB4 (0.58) EPHB4MAPTKDM4EALDH1A1POLB
SCHEMBL5482208 0.88 EPHB4 (0.60) EPHB4MAPTPOLBAURKACNR1
SCHEMBL5488365 0.88 EPHB4 (0.51) EPHB4MAPTKDM4EALDH1A1POLB
SCHEMBL5478322 0.88 EPHB4 (0.62) EPHB4MAPTKDM4EALDH1A1POLB
SCHEMBL5478329 0.87 EPHB4 (0.56) EPHB4MAPTKDM4EALDH1A1POLB
SCHEMBL5485854 0.83 EPHB4 (0.56) EPHB4AURKA
SCHEMBL5482031 0.83 EPHB4 (0.59) EPHB4MAPTAURKACNR1
SCHEMBL6683431 0.82 EPHB4 (0.51) EPHB4MAPTKDM4EALDH1A1POLB
SCHEMBL5490521 0.81 EPHB4 (0.58) EPHB4MAPTKDM4EALDH1A1POLB

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 EPHB4 4724/4885MAPT 1253/4885KDM4E 3631/4885

“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.