SCHEMBL3606385

SCHEMBL3606385

C[C@H]1COCCN1c1cc(CSCCO)nc(-c2ccc(NC(=O)NCc3cnn(C)c3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.60
PIK3CA P42336 11/20 0.60
PIK3CD O00329 6/20 0.57

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
SCHEMBL3598814 0.92 MTOR (0.56) MTORPIK3CAPIK3CD
SCHEMBL3599262 0.91 PIK3CA (0.57) MTORPIK3CAPIK3CD
SCHEMBL3594449 0.90 PIK3CA (0.63) MTORPIK3CAPIK3CD
SCHEMBL3603198 0.87 PIK3CA (0.58) MTORPIK3CAPIK3CD
SCHEMBL3594626 0.86 PIK3CA (0.67) MTORPIK3CAPIK3CD
SCHEMBL3606469 0.86 PIK3CA (0.64) MTORPIK3CAPIK3CD
SCHEMBL3590410 0.86 PIK3CA (0.58) MTORPIK3CAPIK3CD
SCHEMBL3594178 0.86 PIK3CA (0.59) MTORPIK3CAPIK3CD
SCHEMBL3606644 0.86 PIK3CA (0.59) MTORPIK3CAPIK3CD
SCHEMBL3602489 0.86 PIK3CA (0.78) MTORPIK3CAPIK3CD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP claimed
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR MTOR 3/4885PIK3CA 20/4885PIK3CD 19/4885

“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.