SCHEMBL84230

SCHEMBL84230

CN1CCN(C(=O)CCNC(=O)N(c2ccccc2)c2ncc3cn[nH]c3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
DDR1 Q08345 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NAMPT P43490 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL84021 0.91 L3MBTL1 (0.43) L3MBTL1DDR1POLBSIGMAR1TSHR
SCHEMBL83960 0.90 KDM5B (0.40) POLBTSHR
SCHEMBL84229 0.87 L3MBTL1 (0.40) KDM4EHTTL3MBTL1POLBSIGMAR1
SCHEMBL80712 0.83 PTGIR (0.42)
SCHEMBL5027077 0.82 HDAC6 (0.36) NAMPTLMNA
SCHEMBL80203 0.81 HDAC6 (0.34) HTTPOLBNAMPTKMT2AALDH1A1
SCHEMBL5027708 0.81 HDAC6 (0.39) HTTTSHRALDH1A1
SCHEMBL79960 0.80 HDAC6 (0.34) HTTDDR1POLBNAMPTKMT2A
SCHEMBL83293 0.80 GSK3A (0.38) NAMPT
SCHEMBL83622 0.79 CHRM4 (0.42) KMT2AALDH1A1

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 KDM4E 1987/4885HTT 2592/4885L3MBTL1 4609/4885

“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.