SCHEMBL3755663

SCHEMBL3755663

Cc1nc2ccc(-c3ccc4c(c3)CN(C(=O)c3ccc(C(=O)NCCCN5CCOCC5)n3C)CCO4)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.57
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL3749717 0.91 PIK3CA (0.65) PIK3CAMAPK14
SCHEMBL3752598 0.87 PIK3CA (0.67) PIK3CA
SCHEMBL3757882 0.85 PIK3CA (0.66) PIK3CA
SCHEMBL7858789 0.84 PIK3CA (0.52) PIK3CAMEN1RAD52KMT2AMAPK14
SCHEMBL3757367 0.83 PIK3CA (0.65) PIK3CA
SCHEMBL3753065 0.83 PIK3CA (0.69) PIK3CA
SCHEMBL3748020 0.82 PIK3CA (0.66) PIK3CA
SCHEMBL3760201 0.82 PIK3CA (0.68) PIK3CA
SCHEMBL3752244 0.82 PIK3CA (0.68) PIK3CA
SCHEMBL3754683 0.82 PIK3CA (0.70) PIK3CA

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 16/4885PARP1 1488/4885MEN1 515/4885

“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.