SCHEMBL8353365

SCHEMBL8353365

Cn1cnc2c(N(Cc3ccccc3)Cc3ccccc3)nc(/C=C/c3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.42
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
CCNB1 P14635 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CDK5 Q00535 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL4452461 0.80 CYP3A4 (0.51) CDK1MAPTTP53MAPK1TDP1
SCHEMBL380633 0.79 CDK1 (0.62) CDK1MAPTTP53MAPK1TDP1
SCHEMBL8353441 0.77 CDK1 (0.44) CDK1MAPTTP53MAPK1TDP1
SCHEMBL4464767 0.77 CDK1 (0.47) CDK1MAPTTP53MAPK1TDP1
SCHEMBL4462535 0.77 CDK1 (0.44) CDK1MAPTTP53MAPK1TDP1
SCHEMBL14400799 0.77 CDK1 (0.48) CDK1MAPTTP53MAPK1TDP1
SCHEMBL4564902 0.77 CDK1 (0.46) CDK1MAPTTP53MAPK1TDP1
SCHEMBL8353775 0.75 CDK1 (0.44) CDK1MAPTTP53MAPK1TDP1
SCHEMBL4458806 0.74 PDE4A (0.49) CDK1MAPTTP53MAPK1TDP1
SCHEMBL20917645 0.68 CDK1 (0.48) CDK1MAPTTP53MAPK1TDP1

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 7 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-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-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
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
WO-2003011864-A1 DERIVATIVES OF TRIAZOLYL-IMIDAZOPYRIDINE AND OF THE TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2a RECEPTOR AND THEIR USE AS MEDICAMENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-13 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 (1 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 CDK1 505/4885MAPT 3380/4885TP53 3861/4885

“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.