SCHEMBL7865633

SCHEMBL7865633

COC(=O)Nc1nc2ccc(-c3ccc4c(c3)CN(c3ncccc3C)CCO4)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.43
LMNA P02545 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
CYP1A2 P05177 4/20 0.41
HIF1A Q16665 4/20 0.41
ABL1 P00519 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ABCC4 O15439 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDR P35968 1/20 0.41
HTT P42858 1/20 0.41
GPR142 Q7Z601 4/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3760409 0.93 PIK3CA (0.45) PIK3CAABL1GPR142CREBBPPIK3CG
SCHEMBL15603621 0.90 LMNA (0.45) PIK3CALMNASMN1; SMN2HPGDPOLB
SCHEMBL13056676 0.88 CREBBP (0.47) PIK3CALMNASMN1; SMN2HPGDPOLB
SCHEMBL13056669 0.85 LMNA (0.47) PIK3CALMNASMN1; SMN2HPGDPOLB
SCHEMBL7858604 0.85 LMNA (0.47) PIK3CALMNASMN1; SMN2HPGDPOLB
SCHEMBL13056668 0.84 GPR142 (0.43) PIK3CALMNASMN1; SMN2HPGDPOLB
SCHEMBL7860627 0.83 CREBBP (0.47) PIK3CALMNASMN1; SMN2HPGDPOLB
SCHEMBL7859686 0.82 PDE10A (0.44) PIK3CALMNASMN1; SMN2HPGDPOLB
SCHEMBL13056673 0.82 MTNR1B (0.44) PIK3CALMNASMN1; SMN2HPGDPOLB
SCHEMBL13056671 0.82 LMNA (0.41) PIK3CALMNASMN1; SMN2HPGDPOLB

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 PIK3CA 3/4885LMNA 2593/4885SMN1; SMN2 3705/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885LMNA 2157/4885SMN1; 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.