SCHEMBL8512265

SCHEMBL8512265

CCCc1cnc(N)nc1N1CCOc2ccc(-c3cnc4sc(N)nc4c3)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MTOR P42345 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CB P42338 3/20 0.31
PIK3CD O00329 2/20 0.31
PI4KA P42356 2/20 0.31
PIK3CG P48736 2/20 0.31
PI4KB Q9UBF8 2/20 0.31
PIP5K1C O60331 1/20 0.31
CLK1 P49759 1/20 0.31

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
SCHEMBL15408313 0.88 PIK3CA (0.37) PIK3CAMAPTMTORRAB9ASMN1; SMN2
SCHEMBL15407782 0.87 PIK3CA (0.36) PIK3CAMTORPIK3CBPIK3CDPI4KA
SCHEMBL8513540 0.87 PIK3CA (0.35) PIK3CAMTORPIK3CBPIK3CDPI4KA
SCHEMBL16476884 0.86 PIK3CA (0.31) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL8510993 0.86 PIK3CA (0.36) PIK3CAMAPTMTORRAB9ASMN1; SMN2
SCHEMBL15407773 0.85 PIK3CA (0.36) PIK3CAMAPTMTORRAB9ASMN1; SMN2
SCHEMBL8536421 0.84 NUDT1 (0.42) PIK3CAMTORPIK3CBPIK3CDPI4KA
SCHEMBL8511448 0.84 PIK3CA (0.36) PIK3CAMAPTMTORRAB9ASMN1; SMN2
SCHEMBL8534107 0.84 PIK3CA (0.36) PIK3CAMAPTMEN1GAAKMT2A
SCHEMBL15406029 0.84 PIK3CA (0.38) PIK3CAMTORPIK3CBPIK3CDPI4KA

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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US claimed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
EP-2643327-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
WO-2012071511-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR 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 (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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR PIK3CA 135/4885MAPT 439/4885MEN1 3643/4885

“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.