SCHEMBL7862243

SCHEMBL7862243

COc1cc(C(=O)N2CCCc3ccc(-c4ccc5[nH]c(C)nc5c4)cc3C2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.44
ABCB1 P08183 12/20 0.42
PIK3CA P42336 1/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL7864356 0.87 PKM (0.47) ABCB1PIK3CAPKMMEN1KMT2A
SCHEMBL7871226 0.87 ABCB1 (0.48) ABCB1PIK3CAPKMHPGDMEN1
SCHEMBL7864958 0.86 PIK3CA (0.49) ABCB1PIK3CAPKMMEN1KMT2A
SCHEMBL7868232 0.86 PIK3CA (0.47) ABCB1PIK3CAPKMHPGDMEN1
SCHEMBL7871187 0.85 PIK3CA (0.47) ABCB1PIK3CAPKMHPGDMEN1
SCHEMBL7868247 0.85 NPC1 (0.47) ABCB1PIK3CAPKM
SCHEMBL3760233 0.85 PIK3CA (0.59) PIK3CA
SCHEMBL7865291 0.85 PKM (0.45) ABCB1PIK3CAPKMHPGDMEN1
SCHEMBL7868242 0.83 PIK3CA (0.47) ABCB1PIK3CAPKM
SCHEMBL7870080 0.83 GPR142 (0.47) ABCB1PIK3CAPKMHPGD

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 PROKR1 2951/4885ABCB1 339/4885PIK3CA 16/4885

“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.