SCHEMBL2570921

SCHEMBL2570921

O=C(NCC1CC1)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(=O)n(Cc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.43
▸ CXCR3 P49682 1/20 0.38
▸ NAPEPLD Q6IQ20 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL2573396 0.85 TLR7 (0.48) EGLN1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2570162 0.81 KDM4E (0.42) KDM4EALDH1A1TLR7
SCHEMBL2568638 0.75 TLR7 (0.43) KDM4EALDH1A1TLR7
SCHEMBL2908582 0.69 TLR7 (0.71) TLR7
SCHEMBL2569345 0.68 TLR7 (0.46) KDM4EALDH1A1TLR7
SCHEMBL2572680 0.66 NAPEPLD (0.50) NAPEPLDTLR7ACHE
SCHEMBL3137353 0.63 TLR7 (0.65) TLR7
Urethane SCHEMBL3128318 0.63 TLR7 (0.64) TLR7
SCHEMBL28076721 0.62 HTR6 (0.41) KDM4EALDH1A1
SCHEMBL2569278 0.61 TLR7 (0.68) KDM4ETLR7

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 5 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
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 — — US disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 — — EP 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

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 EGLN1 1555/4885CXCR3 64/4885NAPEPLD 3569/4885

“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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