SCHEMBL4458806

SCHEMBL4458806

CCCCCc1nc(N(Cc2ccccc2)Cc2ccccc2)c2ncn(C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
CDK1 P06493 8/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CCNB1 P14635 4/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38

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
SCHEMBL4462535 0.88 CDK1 (0.44) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL8353441 0.83 CDK1 (0.44) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL4564902 0.81 CDK1 (0.46) CDK1MAPTTP53CCNB1CYP3A4
SCHEMBL4452461 0.79 CYP3A4 (0.51) CDK1MAPTTP53CCNB1CYP3A4
SCHEMBL13866472 0.78 CDK1 (0.62) CDK1MAPTTP53CCNB1CYP3A4
SCHEMBL380633 0.78 CDK1 (0.62) CDK1MAPTTP53CCNB1CYP3A4
SCHEMBL380400 0.77 CDK1 (0.36) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL4464767 0.76 CDK1 (0.47) CDK1MAPTTP53CCNB1CYP3A4
SCHEMBL14400799 0.76 CDK1 (0.48) CDK1MAPTTP53CCNB1CYP3A4
SCHEMBL8353775 0.74 CDK1 (0.44) CDK1MAPTTP53CCNB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528252-B2 Derivatives of triazoly-imidazopyridine useful as ligands of the adenosine A2a receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-05-05 US disclosed
US-20070249638-A1 Derivatives of triazoly-imidazopyridine and of the triazolypurines useful as ligands of the adenosine A2a receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-10-25 US disclosed
US-7230102-B2 Derivatives of triazolyl-imidazopyridine and of the triazolylpurines useful as ligandsof the adenosine a2a receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-06-12 US disclosed
EP-1412354-B1 DERIVATIVES OF TRIAZOLYL-IMIDAZOPYRIDINE AND OF THE TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A 2a? RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2006-05-10 EP disclosed
US-20040204428-A1 Derivatives of triazolyl-imidazopyridine and of the triazolylpurines useful as ligandsof the adenosine a2a receptor and their use as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-10-14 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-20070249638-A1 Derivatives of triazoly-imidazopyridine and of the triazolypurines useful as ligands of the adenosine A2a receptor and their use as medicaments ADORA3, ADORA2A, ADORA1 PDE4A 494/4885PDE4B 537/4885PDE4C 874/4885
US-20040204428-A1 Derivatives of triazolyl-imidazopyridine and of the triazolylpurines useful as ligandsof the adenosine a2a receptor and their use as medicaments ADORA2A, ADORA1, ADORA3 PDE4A 106/4885PDE4B 166/4885PDE4C 273/4885

“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.