SCHEMBL2461336

SCHEMBL2461336

O=C(NCC1CCNCC1)c1cnn2c(O)cc(-c3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.50
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM3 P20309 2/20 0.50
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.47
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
TSHR P16473 3/20 0.47
CASP7 P55210 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLAT P00750 1/20 0.46
CHRM5 P08912 1/20 0.46
CASP1 P29466 2/20 0.45

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
SCHEMBL2459268 0.94 ALDH1A1 (0.47) CHRM1CHRM2CHRM4CHRM3ALDH1A1
SCHEMBL2459919 0.93 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2847831 0.89 PBK (0.54) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2459239 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4707531 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2463957 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2456563 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2457534 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2461526 0.85 CHEK1 (0.48) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2456842 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMEN1KMT2A

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 CHRM1 780/4885CHRM2 606/4885CHRM4 1356/4885

“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.