SCHEMBL1894192

SCHEMBL1894192

Cc1ccc(C)n1-c1ccccc1CC#N

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MYC P01106 7/20 0.41
NR4A1 P22736 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SETDB1 Q15047 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL534197 0.73 ALDH1A1 (0.48) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL1945874 0.72 ALDH1A1 (0.56) KDM4EMEN1HTTKMT2AALDH1A1
SCHEMBL29809738 0.72 ALDH1A1 (0.56) KDM4EMEN1HTTKMT2AALDH1A1
SCHEMBL534766 0.71 ALDH1A1 (0.44) GAAKDM4EHTTALDH1A1HPGD
Water SCHEMBL28641184 0.71 ALDH1A1 (0.47) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL102904 0.71 ALDH1A1 (0.47) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL31426960 0.71 ALDH1A1 (0.47) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL30811100 0.71 KDM4E (0.54) GAAKDM4EMEN1USP2TP53
SCHEMBL28380698 0.71 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL20773129 0.70 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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 (1 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-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A GAA 2289/4885KDM4E 1184/4885MEN1 2626/4885

“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.