SCHEMBL12645238

SCHEMBL12645238

O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(Nc4cccc(F)c4)nc23)N1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 7/20 0.47
CYP3A4 P08684 1/20 0.41
TTK P33981 1/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CSNK2B P67870 4/20 0.38
PAK4 O96013 1/20 0.38
CDK1 P06493 2/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.34
CSNK2A2 P19784 1/20 0.34

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
SCHEMBL12645650 0.91 CSNK2B (0.41) CSNK2A1CYP3A4TTKCTSLCTSB
SCHEMBL2029594 0.90 CSNK2A1 (0.47) CSNK2A1CYP3A4CTSLCTSSCTSK
SCHEMBL14242560 0.90 CSNK2A1 (0.51) CSNK2A1CYP3A4TTKCSNK2BKDM4E
SCHEMBL2029597 0.90 CSNK2A1 (0.47) CSNK2A1CYP3A4CTSLCTSSCTSK
SCHEMBL2029600 0.90 CSNK2A1 (0.47) CSNK2A1CYP3A4CTSLCTSSCTSK
SCHEMBL12644692 0.90 CSNK2A1 (0.40) CSNK2A1CTSLCTSBCTSSCTSK
SCHEMBL12645639 0.89 CSNK2A1 (0.46) CSNK2A1CDK1
SCHEMBL12645258 0.89 CSNK2A1 (0.42) CSNK2A1CYP3A4TTKCSNK2BKDM4E
SCHEMBL12644827 0.88 CSNK2A1 (0.51) CSNK2A1CTSLCTSBCTSSCTSK
SCHEMBL12645246 0.88 CSNK2A1 (0.46) CSNK2A1CYP3A4TTKCSNK2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
WO-2012170827-A2 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
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 CSNK2A1 3/4885CYP3A4 1892/4885TTK 87/4885

“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.