SCHEMBL3753317

SCHEMBL3753317

O=C(O)Nc1nc2ccc(-c3ccc4c(c3)CN(c3ccncn3)CCO4)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.44
GPR142 Q7Z601 11/20 0.43
ABL1 P00519 2/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL13056668 0.91 GPR142 (0.43) PIK3CAGPR142ABL1CYP2D6
SCHEMBL856686 0.85 PIK3CA (0.41) PIK3CAGPR142ABL1
SCHEMBL858028 0.85 PIK3CA (0.53) PIK3CAGPR142
SCHEMBL3756056 0.83 PIK3CA (0.43) PIK3CAGPR142
SCHEMBL3760409 0.83 PIK3CA (0.45) PIK3CAGPR142ABL1
SCHEMBL3716268 0.82 PIK3CA (0.42) PIK3CAGPR142ABL1CYP2D6
SCHEMBL3715967 0.82 CREBBP (0.47) PIK3CAGPR142ABL1
SCHEMBL3757616 0.82 CREBBP (0.47) PIK3CAGPR142ABL1
SCHEMBL3757188 0.81 BTK (0.42) PIK3CA
SCHEMBL3716243 0.80 MTNR1B (0.44) PIK3CAGPR142CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US claimed
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US 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 (2 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885GPR142 1660/4885ABL1 1058/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885GPR142 2004/4885ABL1 874/4885

“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.