SCHEMBL3717345

SCHEMBL3717345

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.45
ABL1 P00519 2/20 0.41
GBA1 P04062 1/20 0.41
CREBBP Q92793 6/20 0.41
GPR142 Q7Z601 3/20 0.40
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL13056669 0.94 LMNA (0.47) PIK3CAABL1GBA1CREBBPGPR142
SCHEMBL3716268 0.90 PIK3CA (0.42) PIK3CAABL1GBA1CREBBPGPR142
SCHEMBL856107 0.89 PIK3CA (0.41) PIK3CAABL1GBA1CREBBPUSP2
SCHEMBL859127 0.87 PIK3CA (0.51) PIK3CAGBA1CREBBPPOLBUSP2
SCHEMBL3715967 0.86 CREBBP (0.47) PIK3CAABL1GBA1CREBBPGPR142
SCHEMBL858992 0.86 PIK3CA (0.43) PIK3CAGBA1CREBBPGPR142USP2
SCHEMBL3757616 0.85 CREBBP (0.47) PIK3CAABL1CREBBPGPR142POLB
SCHEMBL3760409 0.85 PIK3CA (0.45) PIK3CAABL1CREBBPGPR142PIK3CG
SCHEMBL7858604 0.83 LMNA (0.47) PIK3CAABL1CREBBPGPR142POLB
SCHEMBL861377 0.82 GBA1 (0.41) PIK3CAABL1GBA1CREBBPUSP2

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 5 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
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 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 (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 3/4885ABL1 1058/4885GBA1 1589/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885ABL1 874/4885GBA1 1167/4885

“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.