SCHEMBL15433932

SCHEMBL15433932

CC(=O)Nc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCC(CF)CC3)CCO4)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.50
PIK3CA P42336 2/20 0.40
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ABL1 P00519 8/20 0.36
RAF1 P04049 3/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 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
SCHEMBL9612498 0.94 PIK3CG (0.43) PIK3CGPIK3CAAURKAAURKBRAF1
SCHEMBL9612436 0.93 PIK3CG (0.42) PIK3CGPIK3CAAURKAAURKBABL1
SCHEMBL9612559 0.91 PIK3CA (0.42) PIK3CGPIK3CAAURKAAURKBABL1
SCHEMBL13174110 0.89 PIK3CA (0.49) PIK3CGPIK3CAAURKAAURKB
SCHEMBL9612548 0.88 PIK3CA (0.42) PIK3CGPIK3CAMTOR
SCHEMBL9612755 0.84 PIK3CG (0.45) PIK3CGPIK3CAAURKAAURKBABL1
SCHEMBL2724906 0.84 PIK3CA (0.49) PIK3CGPIK3CA
SCHEMBL2726518 0.83 CREBBP (0.44) PIK3CGPIK3CA
SCHEMBL9612590 0.83 PIK3CG (0.46) PIK3CGPIK3CAAURKAAURKBABL1
SCHEMBL13173983 0.82 PIK3CA (0.48) PIK3CAAURKAAURKBRAF1TUBB4A

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 2 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-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 10/4885PIK3CA 3/4885AURKA 2405/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CG 10/4885PIK3CA 3/4885AURKA 2405/4885

“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.