SCHEMBL8514748

SCHEMBL8514748

CC1(C)CCc2nc(CO)nc(N3CCOc4ccc(Br)cc4C3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 3/20 0.36
PIK3CG P48736 3/20 0.36
GPR55 Q9Y2T6 1/20 0.35
HDAC11 Q96DB2 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
NTRK1 P04629 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
SCHEMBL8538864 0.91 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGNTRK1
SCHEMBL8515878 0.89 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGGPR55
SCHEMBL8536256 0.88 PIK3CA (0.34) PIK3CDPIK3CAPIK3CBPIK3CGHDAC11
SCHEMBL3763058 0.80 PIK3CA (0.36) PIK3CDPIK3CAPIK3CBPIK3CGGPR55
SCHEMBL858972 0.79 PIK3CA (0.34) PIK3CDPIK3CAPIK3CBPIK3CGGPR55
SCHEMBL855373 0.76 NTRK1 (0.30) NTRK1
SCHEMBL856960 0.75 GPR142 (0.35) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8656984 0.75 PIK3CA (0.33) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL858433 0.75 PIK3CA (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPDE4A
SCHEMBL855869 0.75 PIK3CD (0.35) PIK3CDPIK3CB

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 PIK3CD 24/4885PIK3CA 12/4885PIK3CB 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.