SCHEMBL407814

SCHEMBL407814

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(Cl)nc3c2nc(-n2nccn2)n3C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
PIK3CA P42336 1/20 0.40
ADORA2A P29274 12/20 0.38
ADORA1 P30542 9/20 0.38
ADORA2B P29275 4/20 0.38
PDE2A O00408 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL13866479 0.72 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3
SCHEMBL4564669 0.72 ADORA2A (0.51) ADORA2AADORA1ADORA2BADORA3
SCHEMBL251127 0.68 PIK3CA (0.44) CCNE2CCNE1CDK2PIK3CALMNA
SCHEMBL30778157 0.68 LMNA (0.41) CCNE2CCNE1CDK2PIK3CALMNA
SCHEMBL30461993 0.66 LMNA (0.44) PIK3CALMNAMAPTNOS1
SCHEMBL20324304 0.65 PDE5A (0.52) CCNE2CCNE1CDK2PIK3CAMAPT
SCHEMBL31528259 0.65 PIK3CA (0.38) CCNE2CCNE1CDK2PIK3CALMNA
SCHEMBL25214292 0.64 PDE1B (0.42) CCNE2CCNE1CDK2PIK3CALMNA
SCHEMBL114357 0.62 PIK3CA (0.77) PIK3CAPDE2ALMNAMAPT
SCHEMBL29666617 0.62 TUBB4A (0.44) PIK3CATUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2016-01-07 US disclosed
US-9133197-B2 Oxidated derivatives of triazolylpurines useful as ligands of the adenosine A2A receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-09-15 US disclosed
EP-2408775-B1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2015-06-17 EP disclosed
US-20120053191-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS ALFASIGMA S.P.A. (IT) 2012-03-01 US disclosed
EP-2408775-A1 OXIDATED DERIVATIVES OF TRIAZOLYPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010106145-A1 OXIDATED DERIVATIVES OF TRIAZOLYPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 WO 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-20120053191-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS ADORA2A, ADORA3, ADORA1 CCNE2 3117/4885CCNE1 2490/4885CDK2 1082/4885
US-20160002244-A1 OXIDATED DERIVATIVES OF TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS ADORA2A, ADORA3, ADORA1 CCNE2 3117/4885CCNE1 2490/4885CDK2 1082/4885

“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.