SCHEMBL2569487

SCHEMBL2569487

C=CCN(CC=C)c1nc(C)c(C)c(NCc2ccccc2)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ APP P05067 3/20 0.34

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
SCHEMBL2572685 0.81 SMN1; SMN2 (0.43) KMT2APOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL14340740 0.73 TLR8 (0.37) KMT2AGAAKDM4EALDH1A1CYP1A2
SCHEMBL532833 0.65 HTT (0.43) KMT2APOLBRAD52GAAKDM4E
SCHEMBL2326685 0.62 HTT (0.50) KMT2APOLBRAD52GAAKDM4E
SCHEMBL533657 0.62 HTT (0.50) KMT2APOLBRAD52GAAKDM4E
SCHEMBL5608826 0.61 HTT (0.53) KMT2APOLBRAD52GAAKDM4E
SCHEMBL8058873 0.60 NPSR1 (0.59) KMT2ARAD52GAAKDM4EALDH1A1
SCHEMBL13779517 0.60 HTT (0.51) KMT2APOLBGAAKDM4EALDH1A1
SCHEMBL8059710 0.60 NOS1 (0.42) POLBGAASMN1; SMN2CYP2D6CYP2C19
SCHEMBL18183246 0.59 HTT (0.47) KMT2APOLBRAD52KDM4EALDH1A1

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
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
CN-101384593-A 3-deazapurine derivatives as tlr7 modulators PFIZER LTD (GB) 2009-03-11 — — CN 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 KMT2A 4035/4885POLB 1986/4885RAD52 4573/4885

“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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