SCHEMBL3760281

SCHEMBL3760281

Cc1nc2cc(-c3ccc4c(c3)CN(C(=O)c3cc(C)n(Cc5cccs5)c3C)CCO4)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.50
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
CREBBP Q92793 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3754938 0.83 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL3756660 0.80 PIK3CA (0.59) PIK3CACREBBP
SCHEMBL13054089 0.79 PIK3CA (0.45) PIK3CACREBBP
SCHEMBL3756945 0.79 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3754389 0.79 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3758622 0.78 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3756397 0.78 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3753761 0.78 PIK3CA (0.61) PIK3CACREBBP
SCHEMBL3747619 0.78 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3749825 0.77 PIK3CA (0.56) PIK3CACREBBP

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 3 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
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 16/4885NPC1 181/4885RAB9A 804/4885

“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.