SCHEMBL3752499

SCHEMBL3752499

Cc1nc2cc(-c3ccc4c(c3)CN(C(=O)c3cc5cc(Cl)ccc5n3C)CCO4)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.55
KCNH2 Q12809 2/20 0.45
QRFPR Q96P65 2/20 0.45
CYP2D6 P10635 1/20 0.44
KCNE1 P15382 1/20 0.44
SCN5A Q14524 1/20 0.44
CREBBP Q92793 2/20 0.42
AHR P35869 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL3755048 0.91 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3757192 0.86 PIK3CA (0.64) PIK3CACREBBP
SCHEMBL3749904 0.85 PIK3CA (0.56) PIK3CACREBBP
SCHEMBL3756807 0.84 PIK3CA (0.55) PIK3CACREBBPMEN1KMT2A
SCHEMBL3747619 0.84 PIK3CA (0.57) PIK3CACREBBP
SCHEMBL3756363 0.84 PIK3CA (0.65) PIK3CACREBBP
SCHEMBL3754440 0.83 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL3762451 0.83 PIK3CA (0.60) PIK3CACREBBP
SCHEMBL3754841 0.83 PIK3CA (0.61) PIK3CACREBBP
SCHEMBL12997188 0.82 PIK3CA (0.47) PIK3CACREBBPAHR

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 16/4885KCNH2 4697/4885QRFPR 4249/4885

“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.