SCHEMBL6526663

SCHEMBL6526663

CCN1C(=O)c2nc(Br)n(Cc3ccccc3)c2N2CC(c3ccccc3)N=C12

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 16/20 0.80
▸ P2RX7 Q99572 4/20 0.55
▸ PDE6D O43924 1/20 0.53
▸ PDE6A P16499 1/20 0.53
▸ PDE6G P18545 1/20 0.53
▸ PDE4A P27815 1/20 0.53
▸ PDE6B P35913 1/20 0.53
▸ PDE6C P51160 1/20 0.53
▸ PDE4B Q07343 1/20 0.53
▸ PDE4C Q08493 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ PDE6H Q13956 1/20 0.53
▸ PDE11A Q9HCR9 1/20 0.53
▸ PDE10A Q9Y233 1/20 0.53

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
SCHEMBL6526661 1.00 PDE5A (0.80) PDE5AP2RX7PDE6DPDE6APDE6G
SCHEMBL12636033 0.87 PDE5A (0.74) PDE5AP2RX7
SCHEMBL6525078 0.81 PDE5A (0.78) PDE5AP2RX7
SCHEMBL6525072 0.81 PDE5A (0.78) PDE5AP2RX7
SCHEMBL12795951 0.77 P2RX7 (0.79) PDE5AP2RX7
SCHEMBL6526613 0.73 P2RX7 (0.78) P2RX7
SCHEMBL6526611 0.73 P2RX7 (0.78) P2RX7
SCHEMBL12795549 0.73 P2RX7 (0.79) PDE5AP2RX7
SCHEMBL12795540 0.72 P2RX7 (0.89) P2RX7
SCHEMBL12795554 0.71 P2RX7 (1.00) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349858-B2 Polycyclic guanine derivatives and use thereof MERCK SHARP & DOHME (US) 2013-01-08 — — US disclosed
US-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-12-13 — — US disclosed
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2011-03-17 — — 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-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF P2RX7, P2RX4, P2RX3 PDE5A 289/4885P2RX7 1/4885PDE6D 546/4885
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF GDA, HPRT1, GMPS PDE5A 667/4885P2RX7 137/4885PDE6D 1140/4885

“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.

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