SCHEMBL3496731

SCHEMBL3496731

O=C1NC[C@@H]2CCN(Cc3cn(Cc4ccc(F)cc4)c4cnc5c(=O)n(O)ccc5c34)C[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ CACNB4 O00305 1/20 0.31
▸ CACNA1A O00555 1/20 0.31
▸ CACNA1G O43497 1/20 0.31
▸ CACNG3 O60359 1/20 0.31
▸ CACNA1F O60840 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ CACNB3 P54284 1/20 0.31
▸ CACNA2D1 P54289 1/20 0.31
▸ CACNG7 P62955 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ CACNA1D Q01668 1/20 0.31
▸ CACNB1 Q02641 1/20 0.31
▸ CACNG1 Q06432 1/20 0.31
▸ CACNB2 Q08289 1/20 0.31
▸ CACNA1S Q13698 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ CACNA1E Q15878 1/20 0.31
▸ CACNA2D4 Q7Z3S7 1/20 0.31

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
SCHEMBL3494723 0.84 MCHR1 (0.39) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3495868 0.83 MLNR (0.37) CD274CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL4962127 0.83 CACNB4 (0.36) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4965332 0.82 CACNB4 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3495130 0.81 KMT2A (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3497606 0.80 GRM2 (0.39) CD274CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3498267 0.80 NPSR1 (0.41) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3494652 0.80 CACNB4 (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3496066 0.80 CACNB4 (0.40) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3496054 0.79 CACNB4 (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP PDCD1LG2 3673/4885CD274 3000/4885CACNB4 3785/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP PDCD1LG2 3673/4885CD274 3000/4885CACNB4 3785/4885

“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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