SCHEMBL5482708

SCHEMBL5482708

Cc1cccc(C)c1C(=O)Nc1cccc(-c2cn3ccnc3c(-n3ccnc3-c3ccccc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
TP53 P04637 2/20 0.53
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 4/20 0.50
AURKA O14965 2/20 0.50
SYK P43405 1/20 0.50
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
EPHB4 P54760 7/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
GFER P55789 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL5477799 0.90 BTK (0.61) BTKTP53KDM4EMAPK1POLB
SCHEMBL5484746 0.88 EPHB4 (0.58) TP53KDM4EPOLBAURKARAB9A
SCHEMBL5481231 0.86 BTK (0.59) BTKTP53KDM4EMAPK1POLB
SCHEMBL5480930 0.86 BTK (0.59) BTKTP53KDM4EMAPK1POLB
SCHEMBL5477850 0.85 SYK (0.56) BTKTP53KDM4EPOLBAURKA
SCHEMBL5483360 0.85 AURKA (0.56) BTKTP53KDM4EMAPK1POLB
SCHEMBL5474240 0.82 EPHB4 (0.54) KDM4EPOLBAURKARAB9AEPHB4
SCHEMBL5482107 0.82 POLB (0.56) BTKTP53KDM4EMAPK1POLB
SCHEMBL5479930 0.81 TP53 (0.56) TP53KDM4ESMN1; SMN2EPHB4ALDH1A1
SCHEMBL5481019 0.80 SYK (0.53) BTKTP53KDM4EPOLBAURKA

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 11 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-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-03-01 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-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-7141566-B1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-28 US disclosed
US-6914059-B2 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AG (DE) 2005-07-05 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
US-20040006075-A1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AG (DE) 2004-01-08 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 (3 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-20040006075-A1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments CYP4Z1, XDH, CYP3A5 BTK 1929/4885TP53 3931/4885KDM4E 3426/4885
US-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents CYP3A5, XDH, CYP4Z1 BTK 1508/4885TP53 3278/4885KDM4E 3444/4885
US-20050054649-A1 Certain 8-heteroaryl-6-phenyl-imidazo[1,2-A]pyrazines as modulators of Hsp90 complex activity HSP90AB1, HSP90AA1, HSPA9 BTK 380/4885TP53 152/4885KDM4E 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.