SCHEMBL83680

SCHEMBL83680

O=C(O)N(c1ccc(N2CC3CCC(C2)O3)cc1)c1ncc2cn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.38
NAMPT P43490 1/20 0.35
IDH1 O75874 5/20 0.32
MAPK1 P28482 3/20 0.32
BRD4 O60885 1/20 0.32
JAK2 O60674 2/20 0.32
MTOR P42345 1/20 0.31
GRM4 Q14833 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
SCHEMBL82027 0.91 SYK (0.37) SYKNAMPTIDH1MAPK1BRD4
SCHEMBL84228 0.78 NAMPT (0.35) SYKNAMPTMAPK1MTOR
SCHEMBL83679 0.77 MTOR (0.41) MAPK1MTOR
SCHEMBL79935 0.76 CSF1R (0.39) NAMPTMAPK1JAK2
SCHEMBL5017322 0.72 FLT3 (0.43) NAMPTJAK2MTOR
SCHEMBL82026 0.69 MAPK1 (0.40) MAPK1MTOR
SCHEMBL83595 0.68 PKM (0.40)
SCHEMBL84227 0.68 AGTR2 (0.33) MTOR
SCHEMBL81359 0.67 FLT3 (0.45)
SCHEMBL77343 0.67 NPC1 (0.47) MAPK1BRD4MTOR

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 SYK 446/4885NAMPT 265/4885IDH1 551/4885

“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.