SCHEMBL5408059

SCHEMBL5408059

Nc1nc(-c2ccccc2)cn2ccnc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.68
ADORA2A P29274 4/20 0.68
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
GLA P06280 1/20 0.55
TMIGD3 P0DMS9 4/20 0.52
ADORA3 P0DMS8 3/20 0.52
ALDH1A2 O94788 1/20 0.51
ALDH1A3 P47895 1/20 0.51
RAB9A P51151 2/20 0.50
AURKA O14965 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FGFR1 P11362 2/20 0.48
KMT2A Q03164 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
SCHEMBL5478336 0.87 RAB9A (0.59) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL5483666 0.82 EPHB4 (0.56) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8240492 0.81 TMIGD3 (0.52) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL18189922 0.77 ALDH1A3 (0.58) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL9938832 0.77 KDM4E (0.50) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL5412238 0.77 AURKA (0.60) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL14006694 0.77 ADORA2A (0.43) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL17536352 0.77 PIK3CA (0.59) KDM4ERAB9AAURKANPC1SMN1; SMN2
SCHEMBL20600721 0.76 ADORA2A (0.71) ADORA1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL9082442 0.73 ALDH1A3 (0.68) ADORA1ADORA2AKDM4EALDH1A1HPGD

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 US claimed
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors SUGEN, INC. 2004-11-04 US claimed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
US-7432265-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432265-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-10-07 US disclosed
EP-1543008-B1 IMIDAZOPYRAZINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-11-07 EP disclosed
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 US disclosed
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 US disclosed
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 US disclosed
US-7157460-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-7157460-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-01-02 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 US disclosed
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors SUGEN, INC. 2004-11-04 US disclosed
US-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2004-04-01 US disclosed
US-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2004-04-01 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 (4 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-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors MAP3K8, MAP3K2, MAP3K5 ADORA1 3042/4885ADORA2A 1341/4885KDM4E 663/4885
US-20040220189-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhbitors MAP3K8, MAP4K4, MAP3K2 ADORA1 2666/4885ADORA2A 1510/4885KDM4E 887/4885
US-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 ADORA1 2172/4885ADORA2A 1932/4885KDM4E 677/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 ADORA1 3721/4885ADORA2A 2475/4885KDM4E 679/4885

“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.