SCHEMBL362972

SCHEMBL362972

CC(C)(C)Nc1nc(C(C)(C)C)c(-c2nc(N3CCOCC3)c3ncn(C4CCCCO4)c3n2)c(C(F)(F)F)n1.O=C(O)OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.40
MTOR P42345 10/20 0.36
STAT3 P40763 1/20 0.36
PIK3CA P42336 9/20 0.36
PIK3CG P48736 9/20 0.36
YTHDC1 Q96MU7 1/20 0.36
CYP2C19 P33261 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL13674720 0.80 PIK3CA (0.47) FLT3MTORPIK3CAPIK3CG
SCHEMBL366206 0.76 MTOR (0.43) MTORSTAT3PIK3CAPIK3CGCNR2
SCHEMBL364128 0.75 MAPK1 (0.36) MTOR
SCHEMBL799171 0.74 MTOR (0.39) FLT3MTORPIK3CAPIK3CGYTHDC1
Bicarbonate SCHEMBL362971 0.74 FLT3 (0.39) FLT3MTORPIK3CAPIK3CGYTHDC1
Bicarbonate SCHEMBL13674719 0.74 FLT3 (0.41) FLT3MTORSTAT3PIK3CAPIK3CG
SCHEMBL13673773 0.73 FLT3 (0.47) FLT3MTORSTAT3PIK3CAPIK3CG
SCHEMBL363672 0.71 MTOR (0.43) MTORSTAT3PIK3CAPIK3CGCNR2
SCHEMBL799262 0.71 PIK3CA (0.50) FLT3MTORPIK3CAPIK3CGYTHDC1
SCHEMBL364150 0.70 PIK3CA (0.43) MTORSTAT3PIK3CAPIK3CGCNR2

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-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 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 (2 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 FLT3 2698/4885MTOR 1/4885STAT3 304/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 FLT3 2698/4885MTOR 1/4885STAT3 304/4885

“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.