SCHEMBL3754224

SCHEMBL3754224

CCn1nc(C)c(Br)c1C(=O)N1CCOc2ccc(-c3ccc4nc(C)[nH]c4c3)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.61
CREBBP Q92793 2/20 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
SCHEMBL3756889 0.85 PIK3CA (0.64) PIK3CACREBBP
SCHEMBL3757419 0.84 PIK3CA (0.66) PIK3CACREBBP
SCHEMBL3752744 0.84 PIK3CA (0.61) PIK3CACREBBP
SCHEMBL3755010 0.81 PIK3CA (0.79) PIK3CA
SCHEMBL3762731 0.81 PIK3CA (0.64) PIK3CACREBBP
SCHEMBL3758666 0.81 PIK3CA (0.68) PIK3CACREBBP
SCHEMBL3756188 0.81 PIK3CA (0.63) PIK3CACREBBP
SCHEMBL3758670 0.80 PIK3CA (0.65) PIK3CACREBBP
SCHEMBL3749654 0.80 PIK3CA (0.67) PIK3CACREBBP
SCHEMBL2726184 0.80 PIK3CA (0.71) 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 2 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

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 16/4885CREBBP 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.