SCHEMBL60962

SCHEMBL60962

Cc1nc(Cl)nc2c1cnn2C1CCC(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.46
PDE1B Q01064 6/20 0.42
PDE1C Q14123 6/20 0.42
PDE1A P54750 4/20 0.42
PDE9A O76083 12/20 0.40
PIK3CA P42336 2/20 0.39
PDE5A O76074 2/20 0.39
PDE2A O00408 1/20 0.39
PDE8A O60658 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MTOR P42345 1/20 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
SCHEMBL25876138 0.89 GRM1 (0.45) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL25876057 0.86 GRM1 (0.42) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL60960 0.82 GRM1 (0.41) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL61885 0.82 PLK4 (0.45) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL25876262 0.79 PDE1B (0.40) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL60969 0.77 PIK3CA (0.42) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL25876055 0.77 PDE9A (0.36) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL60944 0.75 JAK1 (0.37) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL12398418 0.74 YTHDC1 (0.47) GRM1PDE1BPDE1CPDE1APDE9A
SCHEMBL16059106 0.73 GRM1 (0.41) GRM1PDE1BPDE1CPDE1APDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD GRM1 3743/4885PDE1B 1866/4885PDE1C 2426/4885

“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.