SCHEMBL12645366

SCHEMBL12645366

O=C1NC(=O)/C(=C/c2cnn3c(Nc4cccc(C(=O)N5CCNCC5)c4)cc(Nc4cccc(I)c4)nc23)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
MKNK2 Q9HBH9 2/20 0.35
CSNK2B P67870 3/20 0.34
NTRK1 P04629 2/20 0.34
ATR Q13535 1/20 0.34
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
CDK2 P24941 2/20 0.32
CSNK2A1 P68400 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CCNA2 P20248 1/20 0.32

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
SCHEMBL1934502 0.91 CSNK2B (0.43) EPHX2MKNK2CSNK2BNTRK1
SCHEMBL1934500 0.91 CSNK2B (0.43) EPHX2MKNK2CSNK2BNTRK1
SCHEMBL12644795 0.91 CSNK2B (0.43) EPHX2MKNK2CSNK2BNTRK1
SCHEMBL12644588 0.89 EPHX2 (0.39) EPHX2CSNK2BCSNK2A1MMP2MMP9
SCHEMBL12645615 0.88 CSNK2B (0.39) CSNK2BCSNK2A1
SCHEMBL12644800 0.87 ATR (0.38) CSNK2BNTRK1ATRCSNK2A1
SCHEMBL12645621 0.83 BUB1 (0.36) CSNK2BCSNK2A1
SCHEMBL1934403 0.82 CSNK2B (0.40) CSNK2B
SCHEMBL12645498 0.81 CSNK2A2 (0.46) CSNK2BCSNK2A1
SCHEMBL2029819 0.81 EPHX2 (0.39) EPHX2CSNK2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 US 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-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CDK2, CKS2, CSNK2A1 EPHX2 2254/4885MKNK2 58/4885CSNK2B 13/4885

“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.