SCHEMBL2568638

SCHEMBL2568638

O=c1[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)ncc(Br)c2n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 6/20 0.43
▸ PNP P00491 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL2570162 0.79 KDM4E (0.42) TLR7SMN1; SMN2NPSR1KMT2AALDH1A1
SCHEMBL2569345 0.78 TLR7 (0.46) TLR7PNPMAPK1SMN1; SMN2NPSR1
SCHEMBL2569278 0.72 TLR7 (0.68) TLR7MAPK1BRD4SMN1; SMN2NPSR1
SCHEMBL22052998 0.69 CSF1R (0.42) SMN1; SMN2NPSR1GAAMAPTTSHR
SCHEMBL4963836 0.66 HTR6 (0.58) TLR7PNPSMN1; SMN2ALDH1A1HPGD
SCHEMBL12296513 0.64 SMN1; SMN2 (0.44) TLR7MAPK1SMN1; SMN2NPSR1KMT2A
SCHEMBL2572971 0.64 TLR7 (0.79) TLR7ALDH1A1HPGDCYP3A4
SCHEMBL2570143 0.64 TLR7 (0.61) TLR7KMT2AMAPTTSHRHPGD
SCHEMBL25167958 0.62 NPSR1 (0.41) MAPK1SMN1; SMN2NPSR1KMT2ATP53
SCHEMBL974882 0.62 MTOR (0.62) TLR7PNPBRD4SMN1; SMN2KMT2A

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 TLR7 7/4885PNP 1248/4885MAPK1 729/4885

“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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