SCHEMBL84228

SCHEMBL84228

O=C(ON1CC2CCC(C1)O2)N(c1ccccc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
CHRM3 P20309 5/20 0.33
CHRM4 P08173 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM5 P08912 3/20 0.33
CHRM2 P08172 2/20 0.32
SYK P43405 1/20 0.32
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
MAPK1 P28482 4/20 0.31
BTK Q06187 1/20 0.31
ABL1 P00519 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL83680 0.78 SYK (0.38) NAMPTSYKMAPK1MTOR
SCHEMBL82027 0.75 SYK (0.37) NAMPTSYKMAPK1MTOR
SCHEMBL79935 0.74 CSF1R (0.39) NAMPTCCNB2CCNE2CDK1CCNB1
SCHEMBL83595 0.73 PKM (0.40) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL81783 0.72 CSF1R (0.40) NAMPTCCNB2CCNE2CDK1CCNB1
SCHEMBL5014883 0.71 CSF1R (0.36) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL82345 0.70 CSF1R (0.39) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL5015721 0.70 CSF1R (0.41) CCNE2CCNE1CDK2MAPK1
SCHEMBL83675 0.70 CDK2 (0.38) CHRM3CHRM1CHRM2CCNB2CDK1
SCHEMBL83622 0.70 CHRM4 (0.42) CHRM3CHRM4CHRM1CHRM5MAPK1

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 NAMPT 265/4885CHRM3 4872/4885CHRM4 4876/4885

“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.