SCHEMBL3755199

SCHEMBL3755199

CS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccnc(Nc5ccccc5)n4)cc3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.60
MTOR P42345 2/20 0.48
SMG1 Q96Q15 1/20 0.48
GPR142 Q7Z601 1/20 0.46
CAMK2D Q13557 1/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
JAK2 O60674 1/20 0.45
CREBBP Q92793 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
SCHEMBL3762468 0.80 PIK3CA (0.61) PIK3CAMTORSMG1
SCHEMBL3765548 0.78 PIK3CA (0.64) PIK3CACREBBP
SCHEMBL3755996 0.78 PIK3CA (0.65) PIK3CAGPR142
SCHEMBL3753031 0.77 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL3798993 0.77 SMG1 (0.52) SMG1GPR142CAMK2DIKBKBCHUK
SCHEMBL3758088 0.77 PIK3CA (0.75) PIK3CAGPR142
SCHEMBL3755936 0.76 PIK3CA (0.71) PIK3CA
SCHEMBL3754906 0.76 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL3756038 0.76 PIK3CA (0.67) PIK3CAGPR142
SCHEMBL3761137 0.76 PIK3CA (0.67) PIK3CAMTORGPR142

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
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US 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 16/4885MTOR 1/4885SMG1 222/4885

“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.