SCHEMBL16583333

SCHEMBL16583333

CCc1nc(-c2c(OC)ncnc2OC)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.56
APOBEC3G Q9HC16 2/20 0.56
MAPT P10636 8/20 0.49
HPGD P15428 5/20 0.49
HSD17B10 Q99714 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
ACACB O00763 2/20 0.46
ACACA Q13085 2/20 0.46
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALOX15 P16050 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
SMPD1 P17405 1/20 0.37

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) APOBEC3AAPOBEC3GMAPTHPGDHSD17B10
SCHEMBL16583396 0.76 ACACB (0.44) APOBEC3AAPOBEC3GMAPTHPGDHSD17B10
SCHEMBL16583285 0.73 HPGD (0.49) MAPTHPGDHSD17B10RAB9AALDH1A1
SCHEMBL25250921 0.71 POLB (0.50) APOBEC3AAPOBEC3GMAPTHPGDHSD17B10
SCHEMBL16583425 0.70 ACACB (0.40) APOBEC3AAPOBEC3GMAPTHPGDHSD17B10
SCHEMBL16975847 0.68 SMN1; SMN2 (0.61) APOBEC3AAPOBEC3GMAPTHPGDHSD17B10
SCHEMBL21807986 0.66 ACACB (0.41) APOBEC3AAPOBEC3GMAPTHPGDHSD17B10
SCHEMBL15677598 0.66 ACACB (0.44) APOBEC3AAPOBEC3GMAPTRAB9ANPC1
SCHEMBL16584035 0.66 ACHE (0.40) MAPTHPGDHSD17B10RAB9AALDH1A1
SCHEMBL16591438 0.65 PDPK1 (0.41) MAPTHPGDHSD17B10RAB9AALDH1A1

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
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 APOBEC3A 1460/4885APOBEC3G 1166/4885MAPT 4480/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 APOBEC3A 1533/4885APOBEC3G 1248/4885MAPT 4477/4885

“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.