SCHEMBL60944

SCHEMBL60944

Cc1nc(Cl)nc2c1cnn2C1CCN(CC(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.37
GRM1 Q13255 1/20 0.36
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
FPR1 P21462 1/20 0.36
NR3C1 P04150 3/20 0.36
LRRK2 Q5S007 1/20 0.36
CYP3A4 P08684 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PDE2A O00408 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PDE9A O76083 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 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
SCHEMBL25876138 0.82 GRM1 (0.45) GRM1PDE1APDE1BPDE1CPDE2A
SCHEMBL3986621 0.81 PIK3CA (0.52) PIK3CAMTOR
SCHEMBL55884 0.79 PIK3CA (0.44) PIK3CAMTOR
SCHEMBL60960 0.76 GRM1 (0.41) JAK1GRM1PDE1APDE1BPDE1C
SCHEMBL61885 0.76 PLK4 (0.45) GRM1PDE1APDE1BPDE1CNR3C1
SCHEMBL60962 0.75 GRM1 (0.46) GRM1PDE1APDE1BPDE1CPDE2A
SCHEMBL25876313 0.74 CYP17A1 (0.43) PDE2APIK3CAMTOR
SCHEMBL3184785 0.74 NR3C1 (0.48) GRM1PDE1APDE1BPDE1CNR3C1
SCHEMBL25876055 0.74 PDE9A (0.36) GRM1PDE1APDE1BPDE1CPDE2A
SCHEMBL25876262 0.73 PDE1B (0.40) GRM1PDE1APDE1BPDE1CLRRK2

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 JAK1 122/4885GRM1 3743/4885PDE1A 2554/4885

“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.