SCHEMBL3753638

SCHEMBL3753638

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)c3cccc(C(=O)NC5CCCC5)c3)CCO4)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.64
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
MTOR P42345 1/20 0.42

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
SCHEMBL3756525 0.94 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL3755445 0.93 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL3755686 0.91 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL3755138 0.90 PIK3CA (0.63) PIK3CA
SCHEMBL3753626 0.85 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL3755429 0.83 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL3755434 0.82 PIK3CA (0.69) PIK3CA
SCHEMBL3754913 0.82 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL3757765 0.82 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL3761143 0.82 PIK3CA (0.73) 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 16/4885BMPR1B 3555/4885BMPR1A 3638/4885

“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.