SCHEMBL1233901

SCHEMBL1233901

CCCn1nc(C#N)c(Br)c1CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 6/20 0.38
DRD3 P35462 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
CTSK P43235 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL1233463 0.92 HSD17B10 (0.39) HSD17B10ALDH1A1DRD3MAPTPKM
SCHEMBL1234212 0.85 HSD17B10 (0.42) HSD17B10ALDH1A1MAPTPKMCASP3
SCHEMBL1232820 0.85 TDP1 (0.44) TDP1L3MBTL1ACHE
SCHEMBL1233698 0.77 MAPT (0.40) ALDH1A1DRD3MAPTPKML3MBTL1
SCHEMBL1233347 0.74 HSD17B10 (0.40) HSD17B10ALDH1A1DRD3MAPTPKM
SCHEMBL1234264 0.74 CTSK (0.35) CTSK
SCHEMBL1232660 0.70 LMNA (0.31) ALDH1A1MAPTKDM4ELMNACYP2D6
SCHEMBL1233448 0.70 SMN1; SMN2 (0.39) ALDH1A1MAPTHTTTSHRLMNA
SCHEMBL27651064 0.69 ATP4A (0.36) ALDH1A1PKMTDP1KDM4EHTT
SCHEMBL29683253 0.68 GLS (0.61) DRD3CASP3MEN1CYP2C19KMT2A

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 13 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-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
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 HSD17B10 4684/4885ALDH1A1 1406/4885DRD3 3027/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 HSD17B10 4750/4885ALDH1A1 1688/4885DRD3 2867/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 HSD17B10 4684/4885ALDH1A1 1406/4885DRD3 3027/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 HSD17B10 4750/4885ALDH1A1 1688/4885DRD3 2867/4885

“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.