SCHEMBL16583237

SCHEMBL16583237

C[C@H](N)c1nc2cccc(Cl)c2c(=O)n1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.56
PIK3R2 O00459 12/20 0.56
PIK3CG P48736 3/20 0.54

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
SCHEMBL16583238 1.00 PIK3CD (0.56) PIK3CDPIK3R2PIK3CG
Hydrochloric Acid SCHEMBL22529309 0.99 PIK3CD (0.55) PIK3CDPIK3R2PIK3CG
Hydrochloric Acid SCHEMBL29440969 0.99 PIK3CD (0.55) PIK3CDPIK3R2PIK3CG
Hydrochloric Acid SCHEMBL22529307 0.99 PIK3CD (0.55) PIK3CDPIK3R2PIK3CG
SCHEMBL15812566 0.92 PIK3CD (0.61) PIK3CDPIK3R2PIK3CG
SCHEMBL17331040 0.92 PIK3CD (0.61) PIK3CDPIK3R2PIK3CG
SCHEMBL17331039 0.92 PIK3CD (0.61) PIK3CDPIK3R2PIK3CG
SCHEMBL18923542 0.90 PIK3CD (0.55) PIK3CDPIK3R2PIK3CG
SCHEMBL28968318 0.88 PIK3CD (0.66) PIK3CDPIK3R2PIK3CG
SCHEMBL28968315 0.88 PIK3CD (0.66) PIK3CDPIK3R2PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071462-B Quinazoline derivative or salt thereof and pharmaceutical composition containing the same 柳韩洋行 2022-02-08 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
CN-105924434-A Substituted aminopyrimidine compound and usage method and application thereof 广东东阳光药业有限公司 2016-09-07 CN disclosed
CN-105130966-A Alkynyl compound and use method and application thereof GUANGDONG HEC PHARMACEUTICAL 2015-12-09 CN 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 2/4885PIK3R2 13/4885PIK3CG 5/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3R2 12/4885PIK3CG 6/4885

“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.