SCHEMBL2456963

SCHEMBL2456963

COc1ccc(Br)c(-c2cc(O)n3ncc(C(=O)NCc4ccccc4)c3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 5/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
TACR3 P29371 1/20 0.48
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
HPGDS O60760 1/20 0.46
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
CASP7 P55210 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 2/20 0.45
NPC1 O15118 1/20 0.45
PDE2A O00408 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL2460527 0.87 POLB (0.59) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL2456771 0.85 POLB (0.62) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL2466786 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDTSHRUSP2
SCHEMBL2459283 0.79 ALDH1A1 (0.58) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL2463266 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDTSHRUSP2
SCHEMBL2462762 0.79 ALDH1A1 (0.53) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL2463146 0.78 ALDH1A1 (0.57) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL2456835 0.78 PDPK1 (0.63) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL2461425 0.78 ALDH1A1 (0.59) POLBALDH1A1KDM4EHPGDTSHR
SCHEMBL2461545 0.77 ALDH1A1 (0.58) POLBALDH1A1KDM4EHPGDTSHR

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
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
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
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 POLB 1093/4885ALDH1A1 4176/4885KDM4E 2885/4885

“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.