SCHEMBL2572082

SCHEMBL2572082

O=[N+]([O-])c1c(NCc2ccccc2)ccnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
PKM P14618 1/20 0.48
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4743191 0.84 HTT (0.61) HTTMAPTPOLBSMN1; SMN2CA1
SCHEMBL2570948 0.83 HTT (0.50) HTTMAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL8921373 0.83 HTT (0.64) HTTMAPTPOLBSMN1; SMN2CA1
SCHEMBL1743488 0.83 EGFR (0.55) HTTMAPTPOLBSMN1; SMN2MEN1
SCHEMBL16486521 0.80 MAPT (0.49) HTTMAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL30983973 0.78 HTT (0.71) HTTMAPTPOLBSMN1; SMN2CA1
SCHEMBL6277448 0.78 HTT (0.60) HTTMAPTPOLBSMN1; SMN2CA1
SCHEMBL2571520 0.77 MAPT (0.52) HTTMAPTL3MBTL1SMN1; SMN2MEN1
SCHEMBL2572257 0.77 FABP4 (0.50) HTTMAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL30983987 0.77 HTT (0.44) HTTMAPTL3MBTL1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO 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
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 (3 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 HTT 871/4885PKM 1205/4885MAPT 323/4885
US-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 HTT 4674/4885PKM 1762/4885MAPT 4363/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 HTT 871/4885PKM 1205/4885MAPT 323/4885

“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.