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SCHEMBL1894853

SCHEMBL1894853

CCCn1nc2c(N)nc3ccccc3c2c1NCCC1CCN(C(=O)NC(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.38
▸ TLR7 Q9NYK1 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ CHRM4 P08173 4/20 0.36
▸ CCR5 P51681 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FAAH O00519 1/20 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
SCHEMBL5532872 0.90 TLR7 (0.39) TLR8TLR7NPY5R
SCHEMBL4529519 0.83 NPY5R (0.47) TLR8TLR7NPY5RALDH1A1
SCHEMBL12667231 0.82 TLR7 (0.42) TLR8TLR7NPY5R
SCHEMBL1778533 0.78 CYP3A4 (0.37) TLR8TLR7CCR5CHEK1SMYD3
SCHEMBL4534637 0.75 JAK1 (0.40) NPY5R
SCHEMBL12667266 0.74 TLR7 (0.46) TLR8TLR7POLB
SCHEMBL1776456 0.74 CYP3A4 (0.38) CCR5CHEK1SMYD3ALDH1A1TSHR
SCHEMBL12667230 0.74 TLR7 (0.47) TLR8TLR7MEN1KMT2ATSHR
SCHEMBL12667269 0.72 ADORA1 (0.47) TLR8TLR7POLBKMT2A
SCHEMBL1778167 0.72 CYP3A4 (0.39) CCR5CHEK1ALDH1A1TSHRSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 — — US disclosed
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 — — US disclosed
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 — — US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 — — US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 — — US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 — — US disclosed
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 — — EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 — — WO 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-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A TLR8 256/4885TLR7 93/4885POLB 1395/4885

“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.