SCHEMBL61885

SCHEMBL61885

Cc1nc(Cl)nc2c1cnn2C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.45
GRM1 Q13255 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EZH2 Q15910 1/20 0.40
PAK4 O96013 1/20 0.39
PIK3CA P42336 3/20 0.39
MTOR P42345 3/20 0.39
PIK3CG P48736 1/20 0.39
PDE9A O76083 8/20 0.38
PDE1C Q14123 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE1A P54750 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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 0.90 GRM1 (0.45) GRM1PDE9APDE1CPDE1BPDE1A
SCHEMBL12137576 0.86 PLK4 (0.41) PLK4GRM1MEN1ALDH1A1MAPT
SCHEMBL60960 0.83 GRM1 (0.41) GRM1PIK3CAMTORPDE9APDE1C
SCHEMBL60962 0.82 GRM1 (0.46) GRM1PIK3CAMTORPDE9APDE1C
SCHEMBL25876262 0.80 PDE1B (0.40) GRM1ALDH1A1PDE9APDE1CPDE1B
SCHEMBL25876057 0.79 GRM1 (0.42) GRM1PDE9APDE1CPDE1BPDE1A
SCHEMBL60969 0.78 PIK3CA (0.42) GRM1PIK3CAMTORPDE9APDE1C
SCHEMBL25876055 0.78 PDE9A (0.36) GRM1PDE9APDE1CPDE1BPDE1A
SCHEMBL3993542 0.77 PIK3CA (0.43) PLK4PIK3CAMTORPIK3CGPDE9A
SCHEMBL3985378 0.76 PIK3CA (0.62) PIK3CAMTORPIK3CG

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 PLK4 185/4885GRM1 3743/4885MEN1 2562/4885

“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.