SCHEMBL8515729

SCHEMBL8515729

CSc1nc(C)c(C(C)C)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL9879120 0.76 HTT (0.63) L3MBTL1HTTKMT2AMEN1KDM4E
SCHEMBL19503077 0.76 ALDH1A1 (0.50) L3MBTL1KDM4EGAALMNAALDH1A1
SCHEMBL24900017 0.75 KDM5B (0.41) L3MBTL1KDM4ELMNAALDH1A1POLB
SCHEMBL12036847 0.73 L3MBTL1 (0.52) L3MBTL1HTTKMT2AMEN1KDM4E
SCHEMBL10857521 0.70 KDM4E (0.63) L3MBTL1HTTKDM4EGAALMNA
SCHEMBL8720515 0.69 L3MBTL1 (0.52) L3MBTL1HTTKMT2AMEN1KDM4E
SCHEMBL9024465 0.69 PKM (0.40) HTTKDM4ELMNAALDH1A1POLB
SCHEMBL20564004 0.69 GAA (0.40) L3MBTL1HTTKMT2AMEN1KDM4E
SCHEMBL8515731 0.68 KDM4E (0.60) L3MBTL1HTTKDM4ELMNAALDH1A1
SCHEMBL5108684 0.67 KDM4E (0.58) L3MBTL1HTTKDM4ELMNAALDH1A1

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 5 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-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE RICE KENNETH D (US) 2014-03-13 US disclosed
CN-103459384-A Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS INC 2013-12-18 CN disclosed
EP-2643315-A1 BENZOXAZEPINES AS INHIBITORS OF P13K/mTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
WO-2012071501-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 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 (2 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-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA L3MBTL1 4834/4885HTT 2326/4885KMT2A 2282/4885
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RPTOR, RICTOR L3MBTL1 3292/4885HTT 2422/4885KMT2A 2443/4885

“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.