SCHEMBL16583545

SCHEMBL16583545

CC[C@H](N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.50
PIK3CG P48736 6/20 0.47
PIK3R1 P27986 8/20 0.46
PIK3CB P42338 4/20 0.45
PIK3CA P42336 3/20 0.43

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
SCHEMBL16583546 1.00 PIK3CD (0.50) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL16583419 0.91 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL754924 0.91 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL16583249 0.89 PIK3CD (0.47) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL16583247 0.89 PIK3CD (0.47) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL16583379 0.85 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL16583380 0.85 PIK3CD (0.58) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
Hydrochloric Acid SCHEMBL22529174 0.84 PIK3CD (0.57) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
Hydrochloric Acid SCHEMBL22529175 0.84 PIK3CD (0.57) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
Hydrochloric Acid SCHEMBL29440950 0.84 PIK3CD (0.57) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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 6 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
CN-104513235-A Substituted aminopyrimidine compound and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-04-15 CN 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 PIK3CD 2/4885PIK3CG 5/4885PIK3R1 10/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3CG 6/4885PIK3R1 9/4885

“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.