SCHEMBL799262

SCHEMBL799262

CNc1ncc(-c2nc(N3CCOCC3)c3ncn(C4CCCCO4)c3n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.50
FLT3 P36888 2/20 0.50
YTHDC1 Q96MU7 1/20 0.50
MTOR P42345 11/20 0.48
PIK3CG P48736 11/20 0.46
CYP2C19 P33261 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3R1 P27986 1/20 0.40
PIK3CB P42338 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL1114289 0.88 PIK3CA (0.63) PIK3CAFLT3MTORPIK3CGPIK3CD
SCHEMBL13673773 0.88 FLT3 (0.47) PIK3CAFLT3YTHDC1MTORPIK3CG
SCHEMBL9605491 0.79 MTOR (0.45) PIK3CAFLT3MTORPIK3CGPIK3CD
SCHEMBL336325 0.79 MTOR (0.45) PIK3CAFLT3MTORPIK3CGPIK3CD
SCHEMBL336324 0.79 PIK3CA (0.43) PIK3CAFLT3MTORPIK3CGPIK3CD
SCHEMBL336678 0.78 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL1113912 0.78 YTHDC1 (0.62) PIK3CAFLT3YTHDC1MTORPIK3CG
SCHEMBL31373063 0.78 YTHDC1 (0.62) PIK3CAFLT3YTHDC1MTORPIK3CG
SCHEMBL20171893 0.78 FLT3 (0.56) PIK3CAFLT3YTHDC1MTORPIK3CG
SCHEMBL337155 0.75 PIK3CA (0.49) PIK3CAMTORPIK3CGPIK3CDPIK3R1

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
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
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
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US 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 PIK3CA 22/4885FLT3 2698/4885YTHDC1 581/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885FLT3 2698/4885YTHDC1 581/4885

“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.