SCHEMBL2456900

SCHEMBL2456900

Cc1cc(O)n2ncc(C(=O)NCc3ccc(-c4ccccc4)cc3)c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
HPGD P15428 6/20 0.71
KDM4E B2RXH2 3/20 0.71
USP2 O75604 1/20 0.67
TSHR P16473 1/20 0.67
CYP1A1 P04798 1/20 0.62
POLB P06746 1/20 0.59
HSD17B10 Q99714 1/20 0.58
LMNA P02545 3/20 0.56
TP53 P04637 2/20 0.56
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RECQL P46063 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPK10 P53779 1/20 0.52
KMT2A Q03164 1/20 0.52
PDPK1 O15530 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
SCHEMBL14546704 0.89 HPGD (0.67) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL2459924 0.89 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL2459553 0.87 HPGD (0.65) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL2457455 0.87 HPGD (0.65) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL2457789 0.85 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL2459373 0.84 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL2466786 0.84 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL9901617 0.83 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL2462187 0.83 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EUSP2TSHR
SCHEMBL2461341 0.82 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EUSP2TSHR

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 ALDH1A1 4176/4885HPGD 3821/4885KDM4E 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.