SCHEMBL1233787

SCHEMBL1233787

COC(C)n1nc2c(N)nc3ccccc3c2c1CC(C)(C)NC(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER4 P35408 1/20 0.35
TLR7 Q9NYK1 5/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
TACR3 P29371 2/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
TLR8 Q9NR97 2/20 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
SCHEMBL1233756 0.91 NPSR1 (0.34) EGFRKMT2APTGER4TLR7TLR8
SCHEMBL1234453 0.91 ADORA3 (0.35) EGFRKMT2ATLR7TLR8
SCHEMBL1233575 0.87 TLR7 (0.36) EGFRLMNATLR7ALDH1A1KDM4E
SCHEMBL1233625 0.87 TLR8 (0.42) LMNAKMT2ATLR7ALDH1A1KDM4E
SCHEMBL1234086 0.85 TLR7 (0.34) EGFRLMNATLR7ALDH1A1KDM4E
SCHEMBL1233790 0.84 EGFR (0.41) EGFRLMNAKMT2APTGER4TLR7
SCHEMBL1234569 0.84 EGFR (0.45) EGFRLMNAKMT2APTGER4TLR7
SCHEMBL1232894 0.82 EGFR (0.42) EGFRLMNAKMT2ATLR7ALDH1A1
SCHEMBL1233975 0.80 TLR7 (0.35) EGFRLMNATLR7TLR8
SCHEMBL1233923 0.79 POLB (0.41) EGFRTLR7ALDH1A1KDM4ENPC1

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 EGFR 4660/4885LMNA 3930/4885KMT2A 2980/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 EGFR 4568/4885LMNA 4290/4885KMT2A 3149/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 EGFR 4660/4885LMNA 3930/4885KMT2A 2980/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 EGFR 4568/4885LMNA 4290/4885KMT2A 3149/4885

“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.