SCHEMBL3757572

SCHEMBL3757572

Cc1ccc2ncnc(N3CCOc4ccc(-c5cnc6[nH]c(N(Cc7ccccc7)C(=O)O)nc6c5)cc4C3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
CREBBP Q92793 4/20 0.37
PDGFRB P09619 1/20 0.37
CLK4 Q9HAZ1 5/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 3/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR142 Q7Z601 4/20 0.36
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
MTOR P42345 1/20 0.35
HIF1A Q16665 3/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
AKT1 P31749 1/20 0.33

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
SCHEMBL6126132 0.84 PIK3CA (0.40) PIK3CACREBBPPDGFRBCLK4CYP3A4
SCHEMBL856772 0.84 PIK3CA (0.38) PIK3CACREBBPPDGFRBCLK4CYP3A4
SCHEMBL856147 0.81 CYP3A4 (0.41) PIK3CACLK4CYP3A4CYP2D6MAPK1
SCHEMBL856773 0.76 PIK3CA (0.40) PIK3CACREBBPPDGFRBCLK4CYP3A4
SCHEMBL3719872 0.76 CYP3A4 (0.42) CLK4CYP3A4CYP2D6MAPK1LMNA
SCHEMBL859565 0.74 PIK3CA (0.41) PIK3CACREBBPCLK4CYP3A4CYP2D6
SCHEMBL856771 0.74 CREBBP (0.37) PIK3CACREBBPPDGFRBCLK4CYP3A4
SCHEMBL858661 0.73 LMNA (0.41) PIK3CACREBBPCLK4CYP3A4CYP2D6
SCHEMBL857187 0.73 PIK3CA (0.51) PIK3CACLK4CYP3A4CYP2D6MAPK1
SCHEMBL6126231 0.73 CYP3A4 (0.43) PIK3CACLK4CYP3A4CYP2D6MAPK1

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 3 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-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 3/4885CREBBP 259/4885PDGFRB 1294/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885CREBBP 257/4885PDGFRB 1410/4885

“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.