SCHEMBL1233653

SCHEMBL1233653

CCCCn1nc(C#N)c(-c2ccccc2NC(=O)C(C)(C)C)c1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 4/20 0.35
MEN1 O00255 3/20 0.35
CASP1 P29466 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
FPR1 P21462 2/20 0.35
CASP7 P55210 2/20 0.35
ALOX15 P16050 2/20 0.35
SAE1 Q9UBE0 2/20 0.35
UBA2 Q9UBT2 2/20 0.35
CETP P11597 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ESR1 P03372 1/20 0.35
GAA P10253 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 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
SCHEMBL1234346 0.82 MAPT (0.40) TSHRL3MBTL1HSD17B10ALDH1A1HPGD
SCHEMBL1233404 0.76 POLB (0.44) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL1232513 0.72 GRK6 (0.34) HSD17B10CASP1ALDH1A1HPGDCASP7
SCHEMBL2087952 0.65 CETP (0.67) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1234246 0.65 GCGR (0.38) HSD17B10CASP1ALDH1A1HPGDCASP7
SCHEMBL1233973 0.65 SMN1; SMN2 (0.32) TSHRALDH1A1SAE1UBA2LMNA
SCHEMBL11545369 0.64 HSD17B10 (0.40) TSHRHSD17B10MEN1CASP1KMT2A
SCHEMBL1232663 0.64 ALDH1A1 (0.32) ALDH1A1MAPK1
SCHEMBL3774635 0.63 CETP (0.59) TSHRL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL5706504 0.62 CETP (0.71) TSHRL3MBTL1MEN1KMT2AALDH1A1

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 10 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
EP-1863809-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107753-A2 PYRAZOLOPYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO 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 TSHR 2486/4885L3MBTL1 3975/4885HSD17B10 4684/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 TSHR 2069/4885L3MBTL1 4466/4885HSD17B10 4750/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 TSHR 2486/4885L3MBTL1 3975/4885HSD17B10 4684/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 TSHR 2069/4885L3MBTL1 4466/4885HSD17B10 4750/4885

“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.