SCHEMBL16583285

SCHEMBL16583285

COc1ncnc(OC)c1-c1noc(C(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
CASP1 P29466 1/20 0.49
ATM Q13315 1/20 0.49
HTT P42858 1/20 0.47
AAK1 Q2M2I8 3/20 0.36
CNR2 P34972 3/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL16583245 0.77 MAPT (0.47) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL16583482 0.76 HTT (0.50) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL16597257 0.76 HTT (0.50) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL16583333 0.73 APOBEC3A (0.56) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL17029314 0.71 HTT (0.66) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL16583277 0.70 HTT (0.44) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL6979588 0.68 RAB9A (0.61) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL6979594 0.66 RAB9A (0.51) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL16584035 0.66 ACHE (0.40) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL19425815 0.65 PDPK1 (0.41) HPGDALDH1A1MAPTRAB9ATSHR

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
EP-3046563-B1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AS PI3-KINASE INHIBITORS CALITOR SCIENCES LLC (US) 2019-05-29 EP disclosed
US-9670194-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-06-06 US disclosed
US-9518046-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-12-13 US disclosed
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-03 US disclosed
EP-3046563-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2016-07-27 EP disclosed
US-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
WO-2015042077-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 WO 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-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 HPGD 1669/4885KDM4E 1020/4885ALDH1A1 2295/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 HPGD 1666/4885KDM4E 985/4885ALDH1A1 2302/4885

“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.