SCHEMBL1934675

SCHEMBL1934675

CC(CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2ccnn12)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 4/20 0.34
PDE10A Q9Y233 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
HTR1A P08908 2/20 0.32
CTSD P07339 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
LMNA P02545 1/20 0.31
P2RX7 Q99572 1/20 0.31
OPRM1 P35372 1/20 0.31
CCR5 P51681 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL19512331 0.88 KCNN3 (0.38) KCNN3PDE10AP2RX7OPRM1
SCHEMBL14242606 0.77 PDE10A (0.42) KCNN3PDE10APCSK9
SCHEMBL13117303 0.76 PDE10A (0.38) KCNN3PDE10APCSK9
SCHEMBL14242529 0.75 PDE10A (0.44) KCNN3PDE10APCSK9
SCHEMBL13777950 0.74 ALDH1A1 (0.40) KCNN3PDE10ALMNAP2RX7
SCHEMBL12953267 0.73 CDK2 (0.39) KCNN3CYP3A4
SCHEMBL2027699 0.73 PIK3R1 (0.30)
SCHEMBL2027726 0.73 PDE10A (0.40) KCNN3PDE10A
SCHEMBL13778081 0.73 PDE10A (0.37) KCNN3PDE10A
SCHEMBL13778080 0.70 PDE10A (0.38) KCNN3PDE10APCSK9P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed
EP-2509602-B9 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-11-01 EP disclosed
EP-2509602-B1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS SENHWA BIOSCIENCES INC (TW) 2017-01-25 EP disclosed
US-9303033-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2016-04-05 US disclosed
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
US-8575177-B2 Pyrazolopyrimidines and related heterocycles as CK2 inhibitors SENHWA BIOSCIENCES, INC. (TW) 2013-11-05 US disclosed
EP-2509602-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS Cylene Pharmaceuticals, Inc. (US) 2012-10-17 EP disclosed
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
WO-2011068667-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2011-06-09 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-20110152240-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS CDK2, CKS2, CSNK2A1 KCNN3 2562/4885PDE10A 3104/4885PCSK9 4071/4885

“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.