SCHEMBL15433928

SCHEMBL15433928

COC(=O)Nc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCC(C#N)CC3)CCO4)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.43
LMNA P02545 8/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA2A P29274 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAF1 P04049 3/20 0.36
BRAF P15056 3/20 0.36
CYP1A2 P05177 5/20 0.36
HIF1A Q16665 4/20 0.36
KDR P35968 2/20 0.36
CYP2C19 P33261 1/20 0.36
ABCC4 O15439 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL9612755 0.93 PIK3CG (0.45) PIK3CGLMNASMN1; SMN2HPGDPOLB
SCHEMBL13174050 0.90 PIK3CA (0.46) PIK3CGLMNASMN1; SMN2HPGDPOLB
SCHEMBL9612590 0.89 PIK3CG (0.46) PIK3CGLMNASMN1; SMN2HPGDPOLB
SCHEMBL9612436 0.89 PIK3CG (0.42) PIK3CGLMNASMN1; SMN2HPGDPOLB
SCHEMBL15433931 0.88 USP30 (0.34) PIK3CGTBK1
SCHEMBL9612586 0.87 PIK3CG (0.40) PIK3CGLMNASMN1; SMN2HPGDPOLB
SCHEMBL15433929 0.85 PIK3CG (0.44) PIK3CGLMNASMN1; SMN2HPGDPOLB
SCHEMBL15444515 0.85 PIK3CG (0.42) PIK3CGLMNASMN1; SMN2HPGDPOLB
SCHEMBL9612594 0.84 PIK3CA (0.42) PIK3CGLMNASMN1; SMN2HPGDPOLB
SCHEMBL9612433 0.84 PIK3CA (0.39) PIK3CGLMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CG 10/4885LMNA 2593/4885SMN1; SMN2 3705/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CG 10/4885LMNA 2593/4885SMN1; SMN2 3705/4885

“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.