SCHEMBL2708320

SCHEMBL2708320

Fc1cc(F)cc(C2CCCCN2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNA4 P43681 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C9 P11712 1/20 0.47
PARP1 P09874 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL21723224 0.94 CHRNB2 (0.46) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL15039527 0.94 CHRNB2 (0.46) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL18704814 0.94 CHRNB2 (0.46) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Hydrochloric Acid SCHEMBL15017116 0.92 CHRNB2 (0.44) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Hydrochloric Acid SCHEMBL15017117 0.92 CHRNB2 (0.44) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2706701 0.88 MEN1 (0.41) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL19120330 0.83 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4L3MBTL1KCNH2
SCHEMBL2705736 0.82 MEN1 (0.46) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2240758 0.82 CHRNB2 (0.40) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL22089706 0.82 CHRNB2 (0.40) MEN1CYP2D6CYP2C19KMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 US disclosed
US-8637499-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-01-28 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 US disclosed
EP-2643316-A2 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
EP-2640367-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
EP-2435426-B1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS INC (US) 2013-05-22 EP disclosed
US-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2012-10-11 US disclosed
WO-2012071509-A2 BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 WO disclosed
WO-2012068106-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2435426-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2012-04-04 EP disclosed
WO-2010138487-A1 BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2010-12-02 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 (4 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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA MEN1 3183/4885CYP2D6 746/4885CYP2C19 177/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA MEN1 3183/4885CYP2D6 746/4885CYP2C19 177/4885
US-20120258953-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture PIK3R1, PIK3R3, PIK3R2 MEN1 1381/4885CYP2D6 1474/4885CYP2C19 2144/4885
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MEN1 3328/4885CYP2D6 1174/4885CYP2C19 317/4885

“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.