SCHEMBL8533161

SCHEMBL8533161

O=C(NN1CC2CCC(C1)O2)N(c1ccccc1)c1nccc(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.43
VCP P55072 1/20 0.37
HCRTR2 O43614 9/20 0.37
HCRTR1 O43613 5/20 0.35
MTOR P42345 2/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
SMG1 Q96Q15 1/20 0.35
RIPK1 Q13546 1/20 0.34
HTR3A P46098 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL8533158 0.75 JAK2 (0.39) VCPHCRTR2HCRTR1MTORCDK1
SCHEMBL2369924 0.74 AGTR2 (0.48) AGTR2HCRTR2HCRTR1
SCHEMBL8532537 0.71 ALDH1A1 (0.45) JAK2
SCHEMBL2540416 0.68 CDK5 (0.42) MTORCDK2
SCHEMBL2540569 0.66 PIK3CA (0.34) AGTR2MTORCDK2
SCHEMBL7470679 0.65 HIF1A (0.41) AGTR2
SCHEMBL22917166 0.65 AGTR2 (0.70) AGTR2HCRTR2HCRTR1
SCHEMBL23032510 0.63 AGTR2 (0.65) AGTR2HCRTR2HCRTR1
SCHEMBL84228 0.63 NAMPT (0.35) MTORCDK1CDK2
SCHEMBL8534040 0.62 LMNA (0.40) MTORJAK2

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-8835429-B2 Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses WYETH LLC (US) 2014-09-16 US disclosed
US-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2012-05-31 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-20120134959-A1 PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD AGTR2 2457/4885VCP 2408/4885HCRTR2 4611/4885

“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.