SCHEMBL2456835

SCHEMBL2456835

O=C(NCc1ccc(Br)cc1)c1cnn2c(O)cc(-c3ccccc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.63
PRKCZ Q05513 1/20 0.63
MARK2 Q7KZI7 1/20 0.63
ALDH1A1 P00352 10/20 0.54
KDM4E B2RXH2 6/20 0.54
HPGD P15428 4/20 0.54
TSHR P16473 3/20 0.53
CASP7 P55210 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.52
CASP1 P29466 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 4/20 0.49
TP53 P04637 1/20 0.49
TACR3 P29371 1/20 0.49

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
SCHEMBL2466786 0.93 ALDH1A1 (0.62) PDPK1PRKCZMARK2ALDH1A1KDM4E
SCHEMBL2463266 0.90 ALDH1A1 (0.55) PDPK1PRKCZMARK2ALDH1A1KDM4E
SCHEMBL2457622 0.90 LMNA (0.53) PDPK1PRKCZMARK2ALDH1A1KDM4E
SCHEMBL2457789 0.90 ALDH1A1 (0.60) PDPK1PRKCZMARK2ALDH1A1KDM4E
SCHEMBL2462762 0.88 ALDH1A1 (0.53) PDPK1PRKCZMARK2ALDH1A1KDM4E
SCHEMBL2461425 0.88 ALDH1A1 (0.59) PDPK1PRKCZMARK2ALDH1A1KDM4E
SCHEMBL2456771 0.87 POLB (0.62) ALDH1A1KDM4EHPGDTSHRCASP7
SCHEMBL2456767 0.87 CDK2 (0.59) PDPK1PRKCZMARK2ALDH1A1KDM4E
SCHEMBL2459327 0.86 TP53 (0.61) ALDH1A1KDM4EHPGDTSHRCASP7
SCHEMBL2462736 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDTSHRCASP7

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
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
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
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 PDPK1 322/4885PRKCZ 24/4885MARK2 278/4885

“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.