SCHEMBL1233997

SCHEMBL1233997

CCn1nc(C#N)cc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
KDM4E B2RXH2 6/20 0.37
LMNA P02545 2/20 0.37
CYP11B2 P19099 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
GLS O94925 1/20 0.33
EPHX2 P34913 2/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1233484 0.82 KDM4E (0.38) KDM4ELMNAALDH1A1GLSUSP2
SCHEMBL5407208 0.80 KDM4E (0.34) ADORA2AADORA2BKDM4ELMNACYP11B2
SCHEMBL14116468 0.79 KDM4E (0.32) ADORA2AADORA2BKDM4ECYP11B2
SCHEMBL1234533 0.79 GLS (0.38) KDM4ELMNAALDH1A1GLSGAA
SCHEMBL20517377 0.78 ADORA2A (0.36) ADORA2AADORA2BCYP11B2
SCHEMBL1232387 0.78 CYP11B2 (0.33) ADORA2AADORA2BCYP11B2
SCHEMBL12724798 0.76 CNR1 (0.32) ADORA2AADORA2BCYP11B2
SCHEMBL3093265 0.75 KMT2A (0.44) LMNACYP11B2ALDH1A1HTTGAA
SCHEMBL15746139 0.74 KDM4E (0.36) ADORA2AADORA2BKDM4ELMNACYP11B2
SCHEMBL31094729 0.73 GRN (0.36) KDM4ELMNAAURKARPS6KB1ALDH1A1

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 ADORA2A 466/4885ADORA2B 977/4885KDM4E 1465/4885
US-20060100229-A1 Pyrazolopyridines and analogs thereof IL4, IL2, IL4I1 ADORA2A 575/4885ADORA2B 1026/4885KDM4E 1735/4885
US-20120121651-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL4I1, IL2 ADORA2A 466/4885ADORA2B 977/4885KDM4E 1465/4885
US-20090318435-A1 PYRAZOLOPYRIDINES AND ANALOGS THEREOF IL4, IL2, IL4I1 ADORA2A 575/4885ADORA2B 1026/4885KDM4E 1735/4885

“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.