SCHEMBL3756807

SCHEMBL3756807

Cc1nc2cc(-c3ccc4c(c3)CN(C(=O)c3cc5sccc5n3C)CCO4)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.55
TSHR P16473 2/20 0.44
CREBBP Q92793 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3757916 0.90 PIK3CA (0.51) PIK3CATSHRCREBBPMEN1MAPT
SCHEMBL3747619 0.89 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3749904 0.86 PIK3CA (0.56) PIK3CACREBBP
SCHEMBL3756896 0.86 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL7866193 0.85 PIK3CA (0.58) PIK3CATSHRCREBBPMAPTHPGD
SCHEMBL3755048 0.84 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3752499 0.84 PIK3CA (0.55) PIK3CACREBBPMEN1KMT2A
SCHEMBL3756945 0.83 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3759986 0.83 PIK3CA (0.62) PIK3CACREBBP
SCHEMBL3756745 0.83 PIK3CA (0.56) PIK3CATSHRCREBBPMAPTHPGD

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 16/4885TSHR 4423/4885CREBBP 1171/4885

“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.