SCHEMBL3752591

SCHEMBL3752591

O=C(c1ccc(Cl)cc1Cl)N1CCOc2ccc(-c3ccc4nc[nH]c4c3)cc2C1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.80
GPR142 Q7Z601 3/20 0.44
P2RX7 Q99572 1/20 0.43
PRKDC P78527 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3753070 0.91 PIK3CA (0.78) PIK3CAGPR142PRKDC
SCHEMBL3757862 0.91 PIK3CA (0.72) PIK3CAGPR142PRKDC
Hydrochloric Acid SCHEMBL3765849 0.91 PIK3CA (0.71) PIK3CAGPR142PRKDC
SCHEMBL3756614 0.89 PIK3CA (1.00) PIK3CAGPR142PRKDCCYP2D6
SCHEMBL3748258 0.84 PIK3CA (0.66) PIK3CAGPR142PRKDC
SCHEMBL3749636 0.84 PIK3CA (0.70) PIK3CAPRKDC
SCHEMBL3758042 0.83 PIK3CA (0.68) PIK3CAPRKDC
SCHEMBL3749683 0.82 PIK3CA (0.72) PIK3CAPRKDC
SCHEMBL3754488 0.82 PIK3CA (0.72) PIK3CAGPR142PRKDC
SCHEMBL3752201 0.82 PIK3CA (0.80) 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 16/4885GPR142 4122/4885P2RX7 4548/4885

“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.