SCHEMBL856770

SCHEMBL856770

Clc1nc(SCc2ccccc2)nc2c1CCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
LMNA P02545 6/20 0.55
KDM1A O60341 1/20 0.51
HTT P42858 5/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP2C9 P11712 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
PPARG P37231 2/20 0.47

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
SCHEMBL27013353 0.78 HTR2C (0.49) L3MBTL1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL857447 0.75 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL28853540 0.73 RAB9A (0.64) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL6396705 0.73 L3MBTL1 (0.73) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7415814 0.72 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13752162 0.72 RAB9A (0.70) L3MBTL1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL856198 0.71 RAB9A (0.56) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5888974 0.71 RAB9A (0.59) L3MBTL1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL24200502 0.70 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14064828 0.70 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (3 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA L3MBTL1 4816/4885SMN1; SMN2 3705/4885NPC1 1583/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA L3MBTL1 4834/4885SMN1; SMN2 3818/4885NPC1 1273/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA L3MBTL1 4810/4885SMN1; SMN2 3798/4885NPC1 1132/4885

“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.