SCHEMBL2459949

SCHEMBL2459949

O=C(c1cnn2c(O)cc(-c3ccccc3)nc12)N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.77
KDM4E B2RXH2 7/20 0.77
TSHR P16473 6/20 0.77
HSD17B10 Q99714 2/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
TP53 P04637 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 8/20 0.58
LMNA P02545 3/20 0.58
PLAUR Q03405 2/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52

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
SCHEMBL2459035 0.89 TSHR (0.61) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL2462442 0.89 HPGD (0.61) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL2456616 0.88 TSHR (0.60) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL2456749 0.88 HPGD (0.60) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL2464296 0.88 ALDH1A1 (0.60) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL2462147 0.87 HPGD (0.59) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL4206537 0.85 HPGD (1.00) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL2456621 0.85 ALDH1A1 (0.65) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL2456863 0.85 TSHR (0.59) HPGDKDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL2462605 0.84 TSHR (0.56) HPGDKDM4ETSHRHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US claimed
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP claimed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US claimed
EP-1948663-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP claimed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO claimed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP disclosed
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
EP-1948663-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 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-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators CSNK1A1, CSNK2A1, CSNK2A2 HPGD 3821/4885KDM4E 2885/4885TSHR 1210/4885

“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.