SCHEMBL12795592

SCHEMBL12795592

CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1nc(-c3ccc(-c4ccccc4)cc3)n(Cc3ccc(F)cc3F)c12

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 20/20 0.83

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
SCHEMBL12795589 0.93 P2RX7 (0.72) P2RX7
SCHEMBL12795576 0.91 P2RX7 (1.00) P2RX7
SCHEMBL12795620 0.90 P2RX7 (0.71) P2RX7
SCHEMBL12795587 0.88 P2RX7 (0.83) P2RX7
SCHEMBL14225125 0.86 P2RX7 (0.82) P2RX7
SCHEMBL13985060 0.85 P2RX7 (1.00) P2RX7
SCHEMBL12795581 0.84 P2RX7 (1.00) P2RX7
SCHEMBL14225127 0.84 P2RX7 (0.87) P2RX7
SCHEMBL12795652 0.84 P2RX7 (0.94) P2RX7
SCHEMBL12795605 0.83 P2RX7 (0.89) 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 6 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-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-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
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 P2RX7 1/4885
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF GDA, HPRT1, GMPS P2RX7 137/4885

“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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