SCHEMBL2815317

SCHEMBL2815317

Nc1nc2ccccc2n2cc(-c3ccccc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.88
ADORA1 P30542 7/20 0.70
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
GLA P06280 1/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL2816212 0.88 ADORA2A (0.90) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2818142 0.88 ADORA2A (0.90) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2815893 0.88 ADORA2A (0.70) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2818793 0.87 ADORA2A (0.67) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2816405 0.85 ADORA2A (0.90) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2815835 0.85 ADORA2A (0.90) ADORA2AADORA1
SCHEMBL2817925 0.85 ADORA2A (0.66) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2813910 0.85 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL2815820 0.85 ADORA2A (0.90) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL2816488 0.85 ADORA2A (0.64) ADORA2AADORA1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 US claimed
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 EP disclosed
US-8435994-B2 Substituted [1,2,4]triazolo[4,3-alpha]quinoxalines as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8435994-B2 Substituted [1,2,4]triazolo[4,3-alpha]quinoxalines as adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 US disclosed
US-20120232086-A1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY MERCK SHARP & DOHME CORP. (US) 2012-09-13 US disclosed
US-20120232086-A1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY MERCK SHARP & DOHME CORP. (US) 2012-09-13 US disclosed
WO-2011060207-A1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2011-05-19 WO disclosed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 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-20120232086-A1 FUSED TRICYCLIC COMPOUNDS WITH ADENOSINE A2a RECEPTOR ANTAGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885KDM4E 3779/4885
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS IDH3A, NRAS, KRAS ADORA2A 1818/4885ADORA1 1985/4885KDM4E 2878/4885

“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.