SCHEMBL3756595

SCHEMBL3756595

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)c3ccc(C(F)(F)F)cc3Br)CCO4)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.68
PRKDC P78527 1/20 0.44
GPR142 Q7Z601 2/20 0.44

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
SCHEMBL3754695 0.90 PIK3CA (0.67) PIK3CAPRKDCGPR142
SCHEMBL3755309 0.89 PIK3CA (0.66) PIK3CAPRKDC
SCHEMBL3757877 0.88 PIK3CA (0.64) PIK3CAPRKDCGPR142
SCHEMBL3747409 0.88 PIK3CA (0.64) PIK3CAPRKDC
SCHEMBL3756378 0.88 PIK3CA (0.84) PIK3CA
SCHEMBL3758615 0.86 PIK3CA (0.77) PIK3CAPRKDC
SCHEMBL3755775 0.85 PIK3CA (0.60) PIK3CAPRKDCGPR142
SCHEMBL3750533 0.85 PIK3CA (0.66) PIK3CAPRKDC
SCHEMBL3756781 0.84 PIK3CA (0.66) PIK3CAPRKDC
SCHEMBL3759973 0.84 PIK3CA (0.68) PIK3CAPRKDC

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 16/4885PRKDC 480/4885GPR142 4122/4885

“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.