SCHEMBL5486441

SCHEMBL5486441

O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cn3ccnc3c(-n3cnc(-c4ccccc4)c3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 13/20 0.61
AURKA O14965 2/20 0.57
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
CNR1 P21554 3/20 0.53

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
SCHEMBL5477225 0.97 EPHB4 (0.62) EPHB4AURKAMAPTKDM4EALDH1A1
SCHEMBL5477605 0.93 EPHB4 (0.58) EPHB4AURKAMAPTCNR1
SCHEMBL5490521 0.92 EPHB4 (0.58) EPHB4AURKAMAPTKDM4EALDH1A1
SCHEMBL5481263 0.92 EPHB4 (0.53) EPHB4AURKAMAPTKDM4EALDH1A1
SCHEMBL5475066 0.91 EPHB4 (0.61) EPHB4AURKAMAPTCNR1
SCHEMBL5485343 0.91 EPHB4 (0.55) EPHB4AURKAMAPTKDM4EALDH1A1
SCHEMBL5481752 0.90 EPHB4 (0.60) EPHB4AURKAMAPTCNR1
SCHEMBL5482286 0.90 EPHB4 (0.57) EPHB4AURKA
SCHEMBL6514368 0.89 EPHB4 (0.62) EPHB4AURKAMAPTKDM4EALDH1A1
SCHEMBL5482279 0.87 EPHB4 (0.55) 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 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 (2 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 EPHB4 3142/4885AURKA 314/4885MAPT 3377/4885
US-20050054649-A1 Certain 8-heteroaryl-6-phenyl-imidazo[1,2-A]pyrazines as modulators of Hsp90 complex activity HSP90AB1, HSP90AA1, HSPA9 EPHB4 4724/4885AURKA 2642/4885MAPT 1253/4885

“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.