SCHEMBL1234684

SCHEMBL1234684

CCn1nc2c(N)nc3ccccc3c2c1CC(C)(C)NC(=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.45
TLR8 Q9NR97 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ADORA3 P0DMS8 2/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.35
HDAC3 O15379 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
SCHEMBL1234021 0.93 TLR7 (0.44) TLR7TLR8KDM4EADORA3POLB
SCHEMBL1234711 0.90 ADORA3 (0.38) TLR7TLR8KDM4EADORA3SMN1; SMN2
SCHEMBL1233541 0.90 TLR8 (0.44) TLR7TLR8KDM4EADORA3POLB
SCHEMBL1234569 0.86 EGFR (0.45) TLR7TLR8KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1233754 0.84 TLR7 (0.39) TLR7TLR8
SCHEMBL1233625 0.84 TLR8 (0.42) TLR7TLR8KDM4EADORA3POLB
SCHEMBL1233483 0.84 EGFR (0.38) TLR7TLR8LMNA
SCHEMBL1234382 0.84 TLR7 (0.37) TLR7TLR8
SCHEMBL1233570 0.83 ALDH1A1 (0.44) TLR7TLR8KDM4EADORA3ALDH1A1
SCHEMBL1233923 0.81 POLB (0.41) TLR7TLR8KDM4EPOLBALDH1A1

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
EP-1696912-B1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2016-05-11 EP disclosed
US-9145410-B2 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-29 US disclosed
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2012-05-17 US disclosed
US-7879849-B2 such as 1-(2-Methylpropyl)-2-propyl-2H-pyrazolo[3,4-c]quinolin-4-amine, used as immunomodulators, for inducing or inhibiting cytokine biosynthesis in animals and in the treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-01 US disclosed
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2009-12-24 US disclosed
US-7544697-B2 Pyrazolopyridines and analogs thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-09 US disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 US disclosed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 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 (4 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-20090075980-A1 Pyrazolopyridines and Analogs Thereof IL4, IL4I1, IL2 TLR7 265/4885TLR8 457/4885KDM4E 1465/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 TLR7 179/4885TLR8 319/4885KDM4E 1735/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 TLR7 265/4885TLR8 457/4885KDM4E 1465/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 TLR7 179/4885TLR8 319/4885KDM4E 1735/4885

“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.