SCHEMBL901809

SCHEMBL901809

CCOC(=O)c1cc(NCc2cnn(C)c2)n2nccc2n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
PDE10A Q9Y233 4/20 0.49
NR1I2 O75469 1/20 0.49
CYP2C9 P11712 1/20 0.49
BCL6 P41182 1/20 0.44
KCNN3 Q9UGI6 7/20 0.43
KCNN1 Q92952 1/20 0.42
KCNN2 Q9H2S1 1/20 0.42
PDE4A P27815 1/20 0.42
CDK2 P24941 3/20 0.41
PIK3CA P42336 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CCNE1 P24864 2/20 0.39

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
SCHEMBL901256 0.86 PDE10A (0.50) PDE10ANR1I2CYP2C9KCNN3KCNN1
SCHEMBL13117300 0.84 GSK3B (0.73) GSK3BKCNN3KCNN1KCNN2PDE4A
SCHEMBL902740 0.79 KCNN3 (0.67) PDE10ANR1I2CYP2C9KCNN3KCNN1
SCHEMBL19288588 0.77 PDE10A (0.61) GSK3BPDE10ANR1I2CYP2C9KCNN3
SCHEMBL24418627 0.76 CDK9 (0.53) GSK3BBCL6PDE4ACDK2CCNE1
SCHEMBL14974504 0.76 KDM4E (0.40) GSK3BBCL6PDE4AKDM4EPOLB
SCHEMBL12953471 0.74 GSK3B (0.61) GSK3BKCNN3KCNN1KCNN2CDK2
SCHEMBL17417427 0.74 PDE4A (0.50) GSK3BBCL6PDE4AKDM4EPOLB
SCHEMBL897271 0.73 PDE4A (0.49) PDE10ABCL6PDE4AKDM4EPOLB
SCHEMBL4259824 0.72 KCNN3 (0.47) GSK3BPDE10AKCNN3KCNN1KCNN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
WO-2012044562-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A GSK3B 731/4885PDE10A 4/4885NR1I2 3377/4885

“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.