SCHEMBL861444

SCHEMBL861444

Cc1ncnc(N2CCOc3ccc(-c4ccc5nc(N(C)C(=O)O)[nH]c5c4)cc3C2)c1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.40
GPR142 Q7Z601 1/20 0.34
IGF1R P08069 1/20 0.33
CREBBP Q92793 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 1/20 0.32
CHEK2 O96017 1/20 0.32
ALKBH3 Q96Q83 1/20 0.32

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
SCHEMBL856691 0.91 PIK3CA (0.34) PIK3CAGPR142CREBBP
SCHEMBL3760455 0.88 PIK3CA (0.41) PIK3CAGPR142CREBBP
SCHEMBL861032 0.87 PIK3CA (0.47) PIK3CAGPR142IGF1RCREBBPALKBH3
SCHEMBL857055 0.86 GRIA1 (0.43) PIK3CAIGF1RALKBH3
SCHEMBL13056674 0.85 MAPK1 (0.41) PIK3CAGPR142LMNA
SCHEMBL856540 0.83 PIK3CA (0.39) PIK3CAGPR142IGF1RALKBH3
SCHEMBL856829 0.82 GPR142 (0.41) PIK3CAGPR142CREBBP
SCHEMBL861665 0.81 PIK3CA (0.47) PIK3CAIGF1RCREBBP
SCHEMBL858375 0.81 PIK3CA (0.46) PIK3CAIGF1RCREBBPALKBH3
SCHEMBL855715 0.81 PIK3CA (0.46) PIK3CAIGF1RCREBBPCHEK2ALKBH3

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 3/4885GPR142 2004/4885IGF1R 794/4885

“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.