SCHEMBL2573396

SCHEMBL2573396

Nc1ncc(C(=O)NCC2CC2)c2c1[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 7/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.43
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ P2RX3 P56373 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
SCHEMBL2570921 0.85 EGLN1 (0.43) TLR7EGLN1HDAC3HDAC4HDAC1
SCHEMBL2908582 0.77 TLR7 (0.71) TLR7NUDT1
SCHEMBL3137353 0.73 TLR7 (0.65) TLR7NUDT1
SCHEMBL3137361 0.73 TLR7 (0.65) TLR7NUDT1
Urethane SCHEMBL3128318 0.72 TLR7 (0.64) TLR7NUDT1
SCHEMBL2572680 0.69 NAPEPLD (0.50) TLR7
SCHEMBL13211794 0.67 HDAC3 (0.47) TLR7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5518005 0.66 KDM4E (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5518000 0.66 KDM4E (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14944576 0.66 TLR7 (0.68) TLR7NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 — — EP disclosed
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 — — EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 — — US disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 — — US disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 — — US disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 — — WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 — — US disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 — — US disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 — — 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 (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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 TLR7 7/4885EGLN1 1555/4885HDAC3 2086/4885

“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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