SCHEMBL987244

SCHEMBL987244

CC1(C)OCc2c(N3CCOCC3)nc(-c3ccc(NC(=O)NC4CC4)cc3)nc21

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.70
PIK3CA P42336 4/20 0.54
PIK3CG P48736 3/20 0.54
ATR Q13535 1/20 0.54
RICTOR Q6R327 1/20 0.50
MAPKAP1 Q9BPZ7 1/20 0.50
MLST8 Q9BVC4 1/20 0.50

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
SCHEMBL985778 0.89 MTOR (0.58) MTORPIK3CAPIK3CGATR
SCHEMBL985776 0.89 MTOR (0.67) MTORPIK3CAPIK3CG
SCHEMBL982998 0.86 MTOR (0.82) MTORPIK3CAPIK3CG
SCHEMBL2708290 0.82 MTOR (1.00) MTOR
SCHEMBL2708284 0.82 MTOR (1.00) MTOR
SCHEMBL986826 0.79 MTOR (0.63) MTORPIK3CAPIK3CG
SCHEMBL14843113 0.78 MTOR (0.74) MTORPIK3CAPIK3CGATR
SCHEMBL14843119 0.78 MTOR (0.64) MTORPIK3CAPIK3CGATR
SCHEMBL982909 0.78 MTOR (0.66) MTORPIK3CA
SCHEMBL985243 0.77 MTOR (0.51) MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012099581-A1 DIHYDROFUROPYRIMIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-26 WO claimed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 US claimed
WO-2012099581-A1 DIHYDROFUROPYRIMIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-26 WO disclosed
WO-2012099581-A1 DIHYDROFUROPYRIMIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-26 WO disclosed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 US disclosed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 US disclosed
US-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-27 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-20110021515-A1 DIHYROFUROPYRMINDINE COMPOUNDS MTOR, RICTOR, DEPTOR MTOR 1/4885PIK3CA 59/4885PIK3CG 179/4885

“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.