SCHEMBL2462736

SCHEMBL2462736

O=C(NCc1ccccc1Br)c1cnn2c(O)cc(-c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
TSHR P16473 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CASP7 P55210 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 5/20 0.52
CASP1 P29466 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 3/20 0.49
HPGD P15428 4/20 0.48
RECQL P46063 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK10 P53779 1/20 0.48
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL2460317 0.88 CDK1 (0.55) ALDH1A1TSHRMEN1KMT2ACASP7
SCHEMBL2466786 0.86 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2ACASP7
SCHEMBL2456835 0.86 PDPK1 (0.63) ALDH1A1TSHRMEN1KMT2ACASP7
SCHEMBL2459550 0.85 ALDH1A1 (0.63) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL2459034 0.85 RECQL (0.65) ALDH1A1TSHRMEN1KMT2ACASP7
SCHEMBL12337112 0.84 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ACASP7
SCHEMBL2457622 0.84 LMNA (0.53) ALDH1A1TSHRMEN1KMT2ACASP7
SCHEMBL24424884 0.83 ALDH1A1 (0.56) ALDH1A1TSHRMEN1KMT2ACASP7
SCHEMBL2463270 0.83 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2ACASP7
SCHEMBL2463266 0.82 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2ACASP7

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 4176/4885TSHR 1210/4885MEN1 4587/4885

“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.