SCHEMBL799221

SCHEMBL799221

Cc1nc(N(C)C)ncc1-c1nc(N2CCOCC2)c2nc(N3CCNCC3)n(CC3CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.44
MTOR P42345 5/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 8/20 0.37
PIK3R1 P27986 4/20 0.37
PIK3CG P48736 2/20 0.37
PIK3CD O00329 3/20 0.37
SOS1 Q07889 1/20 0.36
HDAC3 O15379 1/20 0.35
PIK3CB P42338 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL799163 0.89 PIK3CA (0.56) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL799650 0.88 PIK3CA (0.43) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL337344 0.87 PIK3CA (0.45) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL799614 0.85 PIK3CA (0.47) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL336661 0.81 PIK3CA (0.53) PIK3CAMTORHDAC1PIK3R1PIK3CG
SCHEMBL336610 0.80 PIK3CA (0.55) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL336609 0.80 PIK3CA (0.55) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL336026 0.80 PIK3CA (0.59) PIK3CAMTORKDM4EALDH1A1HPGD
SCHEMBL336658 0.78 PIK3CA (0.53) PIK3CAMTORHDAC1PIK3R1PIK3CG
SCHEMBL336494 0.77 PIK3CA (0.56) PIK3CAMTORKDM4EALDH1A1HPGD

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 22/4885MTOR 1/4885KDM4E 772/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885KDM4E 772/4885

“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.