SCHEMBL3754172

SCHEMBL3754172

O=C(NC1CCC1)c1ccc(C(=O)N2CCOc3ccc(-c4cnc5ccccc5c4)cc3C2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.75
MTOR P42345 1/20 0.70
BMPR1B O00238 1/20 0.48
BMPR1A P36894 1/20 0.48
TGFBR1 P36897 1/20 0.48
ACVRL1 P37023 1/20 0.48
ACVR1 Q04771 1/20 0.48
FASN P49327 1/20 0.45

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
SCHEMBL3762430 0.97 PIK3CA (0.77) PIK3CAMTORBMPR1BBMPR1ATGFBR1
SCHEMBL3757217 0.88 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL3758133 0.86 PIK3CA (0.74) PIK3CAMTORFASN
SCHEMBL3759962 0.86 PIK3CA (0.71) PIK3CAMTORFASN
SCHEMBL3750091 0.86 PIK3CA (0.82) PIK3CAMTORFASN
SCHEMBL3753823 0.85 PIK3CA (0.77) PIK3CAMTORFASN
SCHEMBL3756025 0.84 PIK3CA (0.78) PIK3CAMTORFASN
SCHEMBL3760483 0.83 PIK3CA (0.77) PIK3CAMTORFASN
SCHEMBL3754202 0.83 PIK3CA (0.83) PIK3CAMTORFASN
SCHEMBL3752987 0.83 PIK3CA (0.79) PIK3CAMTOR

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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 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 (1 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR PIK3CA 16/4885MTOR 1/4885BMPR1B 3555/4885

“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.