SCHEMBL3991920

SCHEMBL3991920

CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4[nH]ccc4n3)cc2)cc1.O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)Nc1ccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.63
PIK3CA P42336 16/20 0.63
PIK3CG P48736 10/20 0.63
EPHX2 P34913 1/20 0.48

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
SCHEMBL4121632 0.86 MTOR (0.64) MTORPIK3CAPIK3CG
SCHEMBL4114696 0.84 MTOR (0.70) MTORPIK3CAPIK3CG
SCHEMBL3989252 0.83 MTOR (0.70) MTORPIK3CAPIK3CG
SCHEMBL32914 0.79 PIK3CA (0.94) MTORPIK3CAPIK3CG
SCHEMBL3994422 0.79 PIK3CA (0.58) MTORPIK3CAPIK3CG
SCHEMBL32323 0.78 PIK3CA (0.93) MTORPIK3CAPIK3CG
SCHEMBL32264 0.78 PIK3CA (1.00) MTORPIK3CAPIK3CG
SCHEMBL3989822 0.78 MTOR (0.68) MTORPIK3CAPIK3CG
SCHEMBL32681 0.78 PIK3CA (0.81) MTORPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL2520115 0.77 PIK3CA (0.98) 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 4 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
WO-2009070524-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND MTOR KINASE INHIBITORS WYETH (US) 2009-06-04 WO 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
WO-2009070524-A1 PYRROLO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS PI3 KINASE AND MTOR KINASE INHIBITORS WYETH (US) 2009-06-04 WO 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.