SCHEMBL337032

SCHEMBL337032

CC(C)(C)OC(=O)N1CC[C@H](n2cnc3c(Cl)nc(Cl)nc32)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
SRC P12931 5/20 0.45
EGFR P00533 3/20 0.45
ABL1 P00519 2/20 0.42
ABL2 P42684 2/20 0.42
HCAR1 Q9BXC0 1/20 0.42
PNP P00491 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ADORA1 P30542 1/20 0.41
CHKA P35790 7/20 0.40
CHKB Q9Y259 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL11981806 1.00 PIK3CD (0.46) PIK3CDSRCEGFRABL1ABL2
SCHEMBL17144080 1.00 PIK3CD (0.46) PIK3CDSRCEGFRABL1ABL2
SCHEMBL17143824 0.94 HCAR1 (0.45) PIK3CDSRCEGFRHCAR1CCNA2
SCHEMBL17144495 0.94 HCAR1 (0.45) PIK3CDSRCEGFRHCAR1CCNA2
SCHEMBL17143823 0.94 HCAR1 (0.45) PIK3CDSRCEGFRHCAR1CCNA2
SCHEMBL1913691 0.94 HCAR1 (0.48) PIK3CDHCAR1CCNA2CDK2CDK5
SCHEMBL30677299 0.94 HCAR1 (0.48) PIK3CDHCAR1CCNA2CDK2CDK5
SCHEMBL336144 0.85 PIK3CA (0.46) PIK3CDSRCEGFRGPR119USP30
SCHEMBL12537418 0.84 PIK3CA (0.48) PIK3CDSRCEGFRABL1ABL2
SCHEMBL774618 0.83 PNP (0.46) PNPCHKACHKBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015151006-A1 SUBSTITUTED PURINE COMPOUNDS AS BTK INHIBITORS LUPIN LIMITED (IN) 2015-10-08 WO disclosed
WO-2015151006-A1 SUBSTITUTED PURINE COMPOUNDS AS BTK INHIBITORS LUPIN LIMITED (IN) 2015-10-08 WO disclosed
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-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-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
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 PIK3CD 46/4885SRC 1449/4885EGFR 2583/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CD 46/4885SRC 1449/4885EGFR 2583/4885

“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.