SCHEMBL4239087

SCHEMBL4239087

CN(C)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4c(ccn4C)n3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.70
PIK3CA P42336 16/20 0.70
PIK3CG P48736 8/20 0.70

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
SCHEMBL4241641 0.90 PIK3CA (0.69) MTORPIK3CAPIK3CG
SCHEMBL3989252 0.84 MTOR (0.70) MTORPIK3CAPIK3CG
SCHEMBL3998917 0.83 PIK3CA (0.66) MTORPIK3CAPIK3CG
SCHEMBL4121632 0.83 MTOR (0.64) MTORPIK3CAPIK3CG
SCHEMBL3723258 0.83 MTOR (0.74) MTORPIK3CAPIK3CG
SCHEMBL32459 0.82 PIK3CA (1.00) MTORPIK3CAPIK3CG
SCHEMBL3991923 0.82 MTOR (0.71) MTORPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL1409209 0.82 PIK3CA (1.00) MTORPIK3CAPIK3CG
SCHEMBL3428530 0.81 PIK3CA (0.69) MTORPIK3CAPIK3CG
SCHEMBL2729678 0.81 MTOR (0.66) MTORPIK3CAPIK3CG

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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 US claimed
US-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS WYETH (US) 2009-06-11 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-20090149458-A1 PYRROLO[3,2-d]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND mTOR KINASE INHIBITORS MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885PIK3CG 7/4885

“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.