SCHEMBL84227

SCHEMBL84227

O=C(O)N(c1ccccc1)c1ncc2cnn(N3CC4CCC(C3)O4)c2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.33
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
MTOR P42345 2/20 0.31
PIK3CA P42336 1/20 0.31
TFPI2 P48307 1/20 0.30
CHRM4 P08173 2/20 0.30
CHRM3 P20309 2/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 0.68 SYK (0.38) MTOR
SCHEMBL84228 0.67 NAMPT (0.35) MTORCHRM4CHRM3CHRM5CHRM1
SCHEMBL2369924 0.63 AGTR2 (0.48) AGTR2
SCHEMBL8533161 0.62 AGTR2 (0.43) AGTR2MTOR
SCHEMBL79935 0.62 CSF1R (0.39) ALDH1A1KMT2APOLB
SCHEMBL83768 0.60 NPSR1 (0.36) ALDH1A1KMT2APOLB
SCHEMBL3806248 0.58 POLQ (0.32) ALDH1A1KMT2A
SCHEMBL7026456 0.57 NPSR1 (0.48) ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL19778 0.56 NPSR1 (0.70) ALDH1A1KMT2ACHRM4CHRM3POLB
SCHEMBL83595 0.56 PKM (0.40) AGTR2ALDH1A1KMT2A

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 AGTR2 1630/4885ALDH1A1 2453/4885KMT2A 3336/4885

“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.