SCHEMBL8511448

SCHEMBL8511448

C=Cc1cnc(N)nc1N1CCOc2ccc(-c3cnc4sc(N)nc4c3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.36
MTOR P42345 1/20 0.33
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
DYRK1A Q13627 1/20 0.30
CREBBP Q92793 1/20 0.30
GBA1 P04062 1/20 0.30
PRKDC P78527 1/20 0.30
CLK1 P49759 1/20 0.30

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 0.87 PIK3CA (0.37) PIK3CAMTORMAPTRAB9ASMN1; SMN2
SCHEMBL15407779 0.86 PIK3CA (0.36) PIK3CAMTORCREBBPPRKDC
SCHEMBL8530135 0.86 PIK3CA (0.36) PIK3CAMTORGBA1PRKDC
SCHEMBL8510993 0.86 PIK3CA (0.36) PIK3CAMTORMAPTRAB9ASMN1; SMN2
SCHEMBL16460740 0.85 PIK3CA (0.31) PIK3CAMTOR
SCHEMBL15407773 0.85 PIK3CA (0.36) PIK3CAMTORMAPTRAB9ASMN1; SMN2
SCHEMBL8534107 0.85 PIK3CA (0.36) PIK3CAMTORMAPTRAB9ASMN1; SMN2
SCHEMBL15406029 0.85 PIK3CA (0.38) PIK3CAMTORPRKDC
SCHEMBL15406874 0.84 PIK3CA (0.35) PIK3CAMTORPRKDC
SCHEMBL16476888 0.84 CREBBP (0.33) PIK3CAMTORCREBBPPRKDC

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 135/4885MTOR 1/4885MAPT 439/4885

“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.