SCHEMBL8536256

SCHEMBL8536256

CC(=O)NCc1nc2c(c(N3CCOc4ccc(Br)cc4C3)n1)CC(C)(C)CC2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.34
PIK3CD O00329 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
HDAC11 Q96DB2 1/20 0.32
MTNR1B P49286 2/20 0.32
MAPK1 P28482 1/20 0.32
MTNR1A P48039 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL8515878 0.89 PIK3CD (0.35) PIK3CAPIK3CDPIK3CBPIK3CGHDAC11
SCHEMBL8514748 0.88 PIK3CD (0.36) PIK3CAPIK3CDPIK3CBPIK3CGHDAC11
SCHEMBL8538864 0.88 PIK3CD (0.36) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL8534844 0.83 PIK3CA (0.39) PIK3CAMTNR1BMTNR1A
SCHEMBL16479935 0.75 PIK3CA (0.31) PIK3CA
SCHEMBL858862 0.74 CREBBP (0.34) PIK3CA
SCHEMBL3764167 0.73 GPR142 (0.35) PIK3CAPIK3CDPIK3CB
SCHEMBL858672 0.72 NPC1 (0.36) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL857756 0.72 AOC3 (0.35) PIK3CATRPV1
SCHEMBL856456 0.72 PIK3CA (0.42) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RPTOR, RICTOR PIK3CA 12/4885PIK3CD 24/4885PIK3CB 46/4885

“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.