SCHEMBL16583292

SCHEMBL16583292

Cc1nc(-c2c(N)ncnc2Cl)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
PIK3CG P48736 1/20 0.39
NTRK1 P04629 5/20 0.39
PIM1 P11309 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CHEK1 O14757 2/20 0.35
CDK2 P24941 2/20 0.35
CSNK2A1 P68400 2/20 0.35
MAP4K4 O95819 1/20 0.33
PLK1 P53350 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
EGFR P00533 1/20 0.32
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
KIT P10721 1/20 0.32

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
SCHEMBL16583512 0.88 L3MBTL1 (0.44) NTRK1PIM1L3MBTL1CA12CA1
SCHEMBL16597167 0.88 L3MBTL1 (0.44) PIK3CDPIK3CGNTRK1PIM1L3MBTL1
SCHEMBL21028436 0.83 NTRK1 (0.42) PIK3CDPIK3CGNTRK1PIM1L3MBTL1
SCHEMBL16583425 0.80 ACACB (0.40) L3MBTL1KDM4E
SCHEMBL16583277 0.80 HTT (0.44) PIK3CDPIK3CGKDM4ERET
SCHEMBL21028561 0.76 L3MBTL1 (0.36) PIK3CDPIK3CGNTRK1PIM1L3MBTL1
SCHEMBL16583375 0.75 ACHE (0.44) PIK3CDPIK3CG
SCHEMBL16482020 0.75 NTRK1 (0.45) NTRK1PIM1L3MBTL1CA12CA1
SCHEMBL18199188 0.72 RET (0.36) L3MBTL1KDM4ERET
SCHEMBL16583276 0.70 PIK3CG (0.39) PIK3CDPIK3CGCA12CA1CA2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3740468-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2020-11-25 EP disclosed
US-10751339-B2 Substituted aminopyrimidine compounds and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-08-25 US disclosed
CN-104418849-B Substituted aminopyrimidine compounds and use method and application thereof 广东东阳光药业有限公司 2020-04-21 CN disclosed
US-20190224197-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-07-25 US disclosed
WO-2019143874-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-07-25 WO 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-9670194-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-06-06 US disclosed
US-9657007-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-05-23 US disclosed
US-20160318914-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2016-11-03 US disclosed
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-03 US disclosed
EP-3046921-A2 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2016-07-27 EP 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-2015042497-A2 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 WO disclosed
US-20150087658-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 US 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
WO-2015042078-A2 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 (6 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 PIK3CD 2/4885PIK3CG 5/4885NTRK1 4155/4885
US-20190224197-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3R1, PIK3R3 PIK3CD 4/4885PIK3CG 8/4885NTRK1 3179/4885
US-10751339-B2 Substituted aminopyrimidine compounds and methods of use PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3CG 6/4885NTRK1 4109/4885
US-20160318914-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3CG 6/4885NTRK1 4109/4885
US-20150087658-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3CG 6/4885NTRK1 4109/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3CG 6/4885NTRK1 4109/4885

“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.