SCHEMBL83622

SCHEMBL83622

CN1CCC(NC(=O)N(c2ccccc2)c2ncc3cn[nH]c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
PAK1 Q13153 5/20 0.39
DYRK1A Q13627 1/20 0.39
SSTR4 P31391 1/20 0.39
ROCK2 O75116 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 2/20 0.38
ROCK1 Q13464 1/20 0.38
DCLK1 O15075 1/20 0.38
PDPK1 O15530 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.38
AXL P30530 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
SCHEMBL83595 0.90 PKM (0.40) PAK1ROCK2MEN1ALDH1A1KMT2A
SCHEMBL83675 0.86 CDK2 (0.38) CHRM1CHRM3PAK1DYRK1AROCK2
SCHEMBL80712 0.85 PTGIR (0.42) CHRM4CHRM5CHRM1CHRM3
SCHEMBL83621 0.85 CHRM4 (0.42) CHRM4CHRM5CHRM1CHRM3DYRK1A
SCHEMBL83960 0.81 KDM5B (0.40)
SCHEMBL84021 0.80 L3MBTL1 (0.43)
SCHEMBL84230 0.79 KDM4E (0.39) ALDH1A1KMT2A
SCHEMBL82345 0.79 CSF1R (0.39) ROCK2ROCK1FLT3
SCHEMBL77343 0.79 NPC1 (0.47) MEN1KMT2AMAPK1FLT3EGFR
SCHEMBL5014883 0.78 CSF1R (0.36) ROCK2ROCK1FLT3

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 3 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
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (2 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 CHRM4 4876/4885CHRM5 4877/4885CHRM1 4880/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 CHRM4 4830/4885CHRM5 4852/4885CHRM1 4853/4885

“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.