SCHEMBL84021

SCHEMBL84021

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
PTGS2 P35354 2/20 0.40
KDM1A O60341 6/20 0.39
MAOB P27338 6/20 0.39
POLB P06746 1/20 0.39
DDR1 Q08345 1/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 5/20 0.37
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
P2RY12 Q9H244 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
SCHEMBL84230 0.91 KDM4E (0.39) L3MBTL1PTGS2POLBDDR1LMNA
SCHEMBL83960 0.87 KDM5B (0.40) POLBTSHR
SCHEMBL84020 0.86 L3MBTL1 (0.41) L3MBTL1PTGS2KDM1AMAOBPOLB
SCHEMBL80712 0.83 PTGIR (0.42)
SCHEMBL83293 0.81 GSK3A (0.38)
SCHEMBL83622 0.80 CHRM4 (0.42)
SCHEMBL5027077 0.79 HDAC6 (0.36) LMNA
SCHEMBL77343 0.79 NPC1 (0.47) TSHR
SCHEMBL84229 0.79 L3MBTL1 (0.40) L3MBTL1PTGS2POLBLMNATSHR
SCHEMBL80203 0.78 HDAC6 (0.34) POLB

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 L3MBTL1 4609/4885PTGS2 1233/4885KDM1A 3648/4885

“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.