SCHEMBL3762270

SCHEMBL3762270

Nc1ccc(-c2ccc3c(c2)CN(C(=O)c2ccccc2Cl)CCO3)cn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.63
PRKDC P78527 1/20 0.61
MTOR P42345 1/20 0.49
GPR142 Q7Z601 7/20 0.48
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 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
SCHEMBL3749659 0.92 PRKDC (0.68) PIK3CAPRKDCMTORGPR142CYP2D6
SCHEMBL3757998 0.89 PRKDC (0.66) PIK3CAPRKDCMTORGPR142ALDH1A1
SCHEMBL3762244 0.88 PRKDC (0.65) PIK3CAPRKDCMTORGPR142CYP2D6
SCHEMBL3755889 0.87 PIK3CA (0.64) PIK3CAPRKDCMTORGPR142
SCHEMBL3757754 0.86 PIK3CA (0.76) PIK3CAPRKDCMTORGPR142
SCHEMBL3749707 0.85 PRKDC (0.69) PIK3CAPRKDCMTORGPR142
SCHEMBL3756609 0.85 PIK3CA (0.71) PIK3CAPRKDCMTORGPR142CYP2D6
SCHEMBL3758193 0.84 PIK3CA (0.76) PIK3CAPRKDCMTOR
SCHEMBL3755382 0.84 PIK3CA (0.76) PIK3CAPRKDCMTORGPR142
SCHEMBL3760861 0.84 PRKDC (0.66) PIK3CAPRKDCMTORGPR142

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 5 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
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 480/4885MTOR 1/4885

“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.