SCHEMBL1233756

SCHEMBL1233756

COC(C)n1nc2c(N)nc3ccccc3c2c1CC(C)(C)NC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
EGFR P00533 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR7 Q9NYK1 6/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
NPY5R Q15761 1/20 0.33
MCHR1 Q99705 1/20 0.33
PTGER4 P35408 1/20 0.33
S1PR3 Q99500 2/20 0.33
HPGD P15428 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TLR8 Q9NR97 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL1233787 0.91 EGFR (0.40) EGFRKMT2ATLR7PTGER4TLR8
SCHEMBL1234453 0.87 ADORA3 (0.35) EGFRMEN1KMT2ATLR7TLR8
SCHEMBL1233575 0.85 TLR7 (0.36) NPSR1EGFRTLR7ADRA1AHTR2B
SCHEMBL1233625 0.85 TLR8 (0.42) MEN1KMT2ATLR7TLR8
SCHEMBL1233758 0.85 HPGD (0.38) NPSR1EGFRMEN1KMT2ATLR7
SCHEMBL1233483 0.85 EGFR (0.38) NPSR1EGFRKMT2ATLR7HTR1A
SCHEMBL1234086 0.83 TLR7 (0.34) NPSR1EGFRTLR7ADRA1AHTR2B
SCHEMBL1233762 0.83 ALDH1A1 (0.36) NPSR1EGFRTLR7HTR1AADRA2A
SCHEMBL1233975 0.78 TLR7 (0.35) EGFRTLR7ADRA1AHTR2BTLR8
SCHEMBL1233790 0.76 EGFR (0.41) NPSR1EGFRMEN1KMT2ATLR7

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 11 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
EP-1696912-A4 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2009-06-03 EP disclosed
US-20090075980-A1 Pyrazolopyridines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-19 US disclosed
EP-1696912-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M Innovative Properties Company (US) 2006-09-06 EP disclosed
US-20060100229-A1 Pyrazolopyridines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 US disclosed
WO-2005079195-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-09-01 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 (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 NPSR1 2255/4885EGFR 4660/4885MEN1 2523/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 NPSR1 2396/4885EGFR 4568/4885MEN1 2683/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 NPSR1 2255/4885EGFR 4660/4885MEN1 2523/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 NPSR1 2396/4885EGFR 4568/4885MEN1 2683/4885

“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.