SCHEMBL858992

SCHEMBL858992

Cc1nc(N2CCOc3ccc(-c4ccc5nc(N(C)C(=O)O)[nH]c5c4)cc3C2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.43
GBA1 P04062 1/20 0.40
CREBBP Q92793 5/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR142 Q7Z601 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL859565 0.90 PIK3CA (0.41) PIK3CAGBA1CREBBPALDH1A1CYP1A2
SCHEMBL856104 0.87 CREBBP (0.46) PIK3CAGBA1CREBBPGPR142
SCHEMBL859127 0.86 PIK3CA (0.51) PIK3CAGBA1CREBBPALDH1A1CYP1A2
SCHEMBL3717345 0.86 PIK3CA (0.45) PIK3CAGBA1CREBBPMEN1KMT2A
SCHEMBL861578 0.85 CREBBP (0.46) PIK3CACREBBPGPR142
SCHEMBL15522763 0.85 PIK3CA (0.44) PIK3CACREBBPGPR142
SCHEMBL13056669 0.83 LMNA (0.47) PIK3CAGBA1CREBBPALDH1A1CYP1A2
SCHEMBL856107 0.81 PIK3CA (0.41) PIK3CAGBA1CREBBPALDH1A1CYP1A2
SCHEMBL15522613 0.81 PIK3CA (0.40) PIK3CACREBBP
SCHEMBL3756056 0.80 PIK3CA (0.43) PIK3CACREBBPGPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP 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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885GBA1 1167/4885CREBBP 257/4885

“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.