SCHEMBL1234968

SCHEMBL1234968

COCCn1nc(C#N)c(-c2ccccc2N)c1CCCCCl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
USP8 P40818 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.32
PIK3CD O00329 1/20 0.31
MPO P05164 1/20 0.31
SCN9A Q15858 1/20 0.31
HSD17B10 Q99714 2/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1234069 0.89 GCGR (0.34) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1777699 0.77 CRHR1 (0.34) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1233955 0.76
SCHEMBL1234057 0.73 CNR1 (0.32) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1233973 0.71 SMN1; SMN2 (0.32) ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL1233552 0.69 CYP11B2 (0.36) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL1232513 0.69 GRK6 (0.34) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL1234058 0.69 USP8 (0.32) ALDH1A1HPGDUSP8SMN1; SMN2HTT
SCHEMBL1234246 0.68 GCGR (0.38) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL1233655 0.65 SLC34A1 (0.32) ALDH1A1KDM4EHPGDGAALMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1406/4885KDM4E 1465/4885HPGD 83/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 ALDH1A1 1688/4885KDM4E 1735/4885HPGD 156/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 ALDH1A1 1406/4885KDM4E 1465/4885HPGD 83/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 ALDH1A1 1688/4885KDM4E 1735/4885HPGD 156/4885

“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.