SCHEMBL2464153

SCHEMBL2464153

Cc1cc(O)n2ncc(C(=O)NC3CCCCC3)c2n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.80
KDM4E B2RXH2 4/20 0.80
POLB P06746 1/20 0.80
HPGD P15428 5/20 0.74
TSHR P16473 3/20 0.59
HSD17B10 Q99714 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C19 P33261 3/20 0.59
SPR P35270 4/20 0.52
TYK2 P29597 5/20 0.49
ALOX15 P16050 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE4D Q08499 1/20 0.49
RAB9A P51151 1/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL19242866 0.89 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL22767501 0.89 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL19042927 0.89 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL9926737 0.89 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL2459111 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL2462183 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL19042859 0.79 ALDH1A1 (0.80) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL22767492 0.79 ALDH1A1 (0.80) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL18208789 0.77 ALDH1A1 (0.77) ALDH1A1KDM4EPOLBHPGDTSHR
SCHEMBL18208791 0.77 ALDH1A1 (0.77) ALDH1A1KDM4EPOLBHPGDTSHR

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 14 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
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 2885/4885POLB 1093/4885

“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.