SCHEMBL16583245

SCHEMBL16583245

COc1ncnc(OC)c1-c1noc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
CHEK1 O14757 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.39
RET P07949 1/20 0.39
ROS1 P08922 1/20 0.39
KIT P10721 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
SCHEMBL24921221 0.80 MAPT (0.41) MAPTHSD17B10KDM4EGAANPSR1
SCHEMBL16583333 0.77 APOBEC3A (0.56) MAPTHSD17B10KDM4EGAANPSR1
SCHEMBL16583285 0.77 HPGD (0.49) MAPTHSD17B10KDM4ERAB9AHPGD
SCHEMBL24921462 0.75 L3MBTL1 (0.40) MAPTHSD17B10KDM4EGAANPSR1
SCHEMBL16597167 0.73 L3MBTL1 (0.44) KDM4EL3MBTL1CHEK1EGFRNTRK1
SCHEMBL16583512 0.73 L3MBTL1 (0.44) MAPTHSD17B10KDM4EGAANPSR1
SCHEMBL16584035 0.73 ACHE (0.40) MAPTHSD17B10KDM4ERAB9AHPGD
SCHEMBL24920871 0.73 L3MBTL1 (0.41) MAPTHSD17B10KDM4EGAANPSR1
SCHEMBL24920841 0.71 MAPT (0.42) MAPTHSD17B10KDM4EGAANPSR1
SCHEMBL16482009 0.71 HSD17B10 (0.58) MAPTHSD17B10KDM4EGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030556-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften (DE) 2016-06-15 EP claimed
WO-2015039758-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-26 WO claimed
CN-105924433-B Substituted aminopyrimidine compounds and use method and application thereof 广东东阳光药业有限公司 2020-12-22 CN disclosed
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
WO-2016149160-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-09-22 WO disclosed
EP-3046563-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2016-07-27 EP disclosed
WO-2015042077-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 WO disclosed
US-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 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-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 MAPT 4480/4885HSD17B10 3434/4885KDM4E 1020/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 MAPT 4477/4885HSD17B10 3336/4885KDM4E 985/4885

“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.