SCHEMBL3750495

SCHEMBL3750495

Cc1nc2ncc(-c3ccc4c(c3)CN(C(=O)c3ccc(S(C)(=O)=O)c(F)c3C)CCO4)cc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.72
PIK3CA P42336 18/20 0.71
MTOR P42345 1/20 0.42
CREBBP Q92793 1/20 0.40

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
SCHEMBL3755449 0.92 PRKDC (0.60) PRKDCPIK3CAMTORCREBBP
SCHEMBL3749839 0.89 PIK3CA (0.78) PRKDCPIK3CACREBBP
SCHEMBL3755812 0.86 PIK3CA (0.73) PRKDCPIK3CACREBBP
SCHEMBL3748170 0.85 PRKDC (0.71) PRKDCPIK3CACREBBP
SCHEMBL3753636 0.84 PRKDC (0.86) PRKDCPIK3CAMTORCREBBP
SCHEMBL3750548 0.84 PRKDC (0.75) PRKDCPIK3CAMTORCREBBP
SCHEMBL3760241 0.84 PIK3CA (0.69) PRKDCPIK3CACREBBP
SCHEMBL29376344 0.84 PRKDC (1.00) PRKDCPIK3CAMTORCREBBP
SCHEMBL29499913 0.84 PRKDC (1.00) PRKDCPIK3CAMTORCREBBP
SCHEMBL3761352 0.84 PRKDC (1.00) PRKDCPIK3CAMTORCREBBP

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 PRKDC 480/4885PIK3CA 16/4885MTOR 1/4885

“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.