SCHEMBL7865291

SCHEMBL7865291

COc1ccc(C(=O)N2CCCc3ccc(-c4ccc5[nH]c(C)nc5c4)cc3C2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
ABCB1 P08183 14/20 0.44
MAPK1 P28482 1/20 0.43
PIK3CA P42336 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7867035 0.91 MAPT (0.43) PKMABCB1PIK3CAHPGD
SCHEMBL7864356 0.91 PKM (0.47) PKMABCB1MAPK1PIK3CAPDE4B
SCHEMBL7870080 0.91 GPR142 (0.47) PKMABCB1PIK3CAHPGD
SCHEMBL7868247 0.90 NPC1 (0.47) PKMABCB1MAPK1PIK3CAPDE4B
SCHEMBL7871226 0.87 ABCB1 (0.48) PKMABCB1PIK3CAPDE4BPDE4D
SCHEMBL7868232 0.86 PIK3CA (0.47) PKMABCB1PIK3CAHPGDMEN1
SCHEMBL7871187 0.85 PIK3CA (0.47) PKMABCB1PIK3CAHPGDMEN1
SCHEMBL3752492 0.85 PIK3CA (0.60) PIK3CA
SCHEMBL7864958 0.85 PIK3CA (0.49) PKMABCB1PIK3CAMEN1KMT2A
SCHEMBL7862243 0.85 PROKR1 (0.44) PKMABCB1PIK3CAHPGDMEN1

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 667/4885ABCB1 339/4885MAPK1 96/4885

“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.