SCHEMBL8586187

SCHEMBL8586187

Nc1cc(N2CCOc3ccc(-c4cnc5sc(N)nc5c4)cc3C2)nc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.40
PIK3CA P42336 7/20 0.39
MTOR P42345 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CREBBP Q92793 1/20 0.34
PRKDC P78527 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CLK1 P49759 1/20 0.32
ALOX5AP P20292 1/20 0.32
GPR142 Q7Z601 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL8530464 0.91 PIK3CA (0.38) DYRK1APIK3CAMTORCREBBPPRKDC
SCHEMBL8536197 0.91 CRHBP (0.42) DYRK1APIK3CAMTORHRH3PRKDC
SCHEMBL8534964 0.91 MAPT (0.42) DYRK1APIK3CAMTORHRH4PRKDC
SCHEMBL8533147 0.85 PIK3CA (0.37) DYRK1APIK3CAMTORCREBBPPRKDC
SCHEMBL8636847 0.84 PIK3CA (0.38) DYRK1APIK3CAMTORCREBBPPRKDC
SCHEMBL8538083 0.84 PIK3CA (0.39) DYRK1APIK3CAMTORHRH4HRH3
SCHEMBL15406939 0.84 PIK3CA (0.37) DYRK1APIK3CAMTORHRH4HRH3
SCHEMBL9607500 0.84 HRH4 (0.36) PIK3CAMTORHRH4HRH3PIK3CD
Ammonia Solution, Strong SCHEMBL15406028 0.83 PIK3CA (0.38) PIK3CAMTORHRH4HRH3CREBBP
SCHEMBL15408313 0.83 PIK3CA (0.37) DYRK1APIK3CAMTORCREBBPPRKDC

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 DYRK1A 3194/4885PIK3CA 135/4885MTOR 1/4885

“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.