SCHEMBL2457789

SCHEMBL2457789

Cc1ccc(CNC(=O)c2cnn3c(O)cc(-c4ccccc4)nc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 6/20 0.60
HPGD P15428 3/20 0.60
TSHR P16473 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CASP1 P29466 2/20 0.57
USP2 O75604 1/20 0.57
TP53 P04637 2/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 4/20 0.54
HSD17B10 Q99714 3/20 0.53
CASP7 P55210 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A1 P04798 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
PDPK1 O15530 1/20 0.50
PRKCZ Q05513 1/20 0.50
MARK2 Q7KZI7 1/20 0.50
RXFP1 Q9HBX9 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) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2459619 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2456835 0.90 PDPK1 (0.63) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2456771 0.89 POLB (0.62) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2462762 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2461425 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2456767 0.87 CDK2 (0.59) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2460317 0.86 CDK1 (0.55) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2459327 0.86 TP53 (0.61) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2457427 0.86 HPGD (0.58) ALDH1A1KDM4EHPGDTSHRSMN1; 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 ALDH1A1 4176/4885KDM4E 2885/4885HPGD 3821/4885

“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.