SCHEMBL7858604

SCHEMBL7858604

COC(=O)Nc1nc2ccc(-c3ccc4c(c3)CN(c3ncnc5ccccc35)CCO4)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
CREBBP Q92793 3/20 0.42
GPR142 Q7Z601 1/20 0.42
CYP1A2 P05177 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HIF1A Q16665 5/20 0.41
USP2 O75604 3/20 0.41
KDR P35968 2/20 0.41
ABCC4 O15439 1/20 0.41
ABL1 P00519 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
PIK3CA P42336 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL13056673 0.92 MTNR1B (0.44) LMNAHPGDSMN1; SMN2POLBBLM
SCHEMBL3716268 0.92 PIK3CA (0.42) LMNAPOLBCREBBPGPR142CYP1A2
SCHEMBL7859686 0.90 PDE10A (0.44) LMNAHPGDSMN1; SMN2POLBBLM
SCHEMBL13056669 0.89 LMNA (0.47) LMNAHPGDSMN1; SMN2POLBBLM
SCHEMBL13056676 0.89 CREBBP (0.47) LMNAHPGDSMN1; SMN2POLBBLM
SCHEMBL13056671 0.89 LMNA (0.41) LMNAHPGDSMN1; SMN2POLBBLM
SCHEMBL7860627 0.88 CREBBP (0.47) LMNAHPGDSMN1; SMN2POLBBLM
SCHEMBL3716243 0.86 MTNR1B (0.44) LMNAPOLBGPR142CYP1A2ALDH1A1
SCHEMBL15603621 0.85 LMNA (0.45) LMNAHPGDSMN1; SMN2POLBBLM
SCHEMBL7865633 0.85 PIK3CA (0.43) LMNAHPGDSMN1; SMN2POLBBLM

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 7 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
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-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
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 LMNA 2593/4885HPGD 917/4885SMN1; SMN2 3705/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA LMNA 2157/4885HPGD 981/4885SMN1; SMN2 3798/4885

“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.