SCHEMBL7864356

SCHEMBL7864356

COc1cc(C(=O)N2CCCc3ccc(-c4ccc5[nH]c(C)nc5c4)cc3C2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.45
ABCB1 P08183 13/20 0.45
PIK3CA P42336 1/20 0.44
PDE4B Q07343 2/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
WDR5 P61964 1/20 0.42

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
SCHEMBL7868247 0.91 NPC1 (0.47) PKMMAPK1ABCB1PIK3CAPDE4B
SCHEMBL7865291 0.91 PKM (0.45) PKMMAPK1ABCB1PIK3CAPDE4B
SCHEMBL7868232 0.90 PIK3CA (0.47) PKMABCB1PIK3CAMEN1KMT2A
SCHEMBL7871226 0.89 ABCB1 (0.48) PKMABCB1PIK3CAPDE4BPDE4D
SCHEMBL7871187 0.88 PIK3CA (0.47) PKMABCB1PIK3CAMEN1KMT2A
SCHEMBL7868242 0.88 PIK3CA (0.47) PKMABCB1PIK3CA
SCHEMBL7864958 0.87 PIK3CA (0.49) PKMABCB1PIK3CAMEN1KMT2A
SCHEMBL7862243 0.87 PROKR1 (0.44) PKMABCB1PIK3CAMEN1KMT2A
SCHEMBL7868233 0.86 PIK3CA (0.45) PKMABCB1PIK3CAMEN1KMT2A
SCHEMBL7870080 0.86 GPR142 (0.47) PKMABCB1PIK3CA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR PKM 667/4885MAPK1 96/4885ABCB1 339/4885

“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.