SCHEMBL179610

SCHEMBL179610

C[C@H](N)c1cc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.54
PIK3CG P48736 16/20 0.46
PIK3R1 P27986 7/20 0.44
ABCB11 O95342 1/20 0.44
TBXA2R P21731 1/20 0.44
HTR2A P28223 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PDE3A Q14432 1/20 0.44
PIK3R2 O00459 7/20 0.42

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
SCHEMBL16583965 1.00 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL14726573 0.93 PIK3CD (0.47) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL16591271 0.90 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL14649471 0.89 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL22529256 0.89 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL30343572 0.89 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL152366 0.89 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL29440942 0.89 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL152365 0.89 PIK3CD (0.54) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL14726577 0.87 PIK3CD (0.44) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459306-B2 Compounds, compositions, and methods for treating T-cell acute lymphoblastic leukemia THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-10-04 US disclosed
CN-111386264-A Compounds, compositions and methods for treating T-cell acute lymphoblastic leukemia 纽约市哥伦比亚大学理事会 2020-07-07 CN disclosed
US-20200165211-A1 Compounds, Compositions, and Methods for Treating T-Cell Acute Lymphoblastic Leukemia THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-05-28 US disclosed
US-20200165211-A1 Compounds, Compositions, and Methods for Treating T-Cell Acute Lymphoblastic Leukemia THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-05-28 US disclosed
WO-2019028055-A1 COMPOUNDS, COMPOSITIONALS, AND METHODS FOR TREATING T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA THE TRUSTEES OF COLUMBIA UNIVERISTY IN THE CITY OF NEW YORK (US) 2019-02-07 WO disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9657007-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-05-23 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2013012918-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
WO-2011146882-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INTELLIKINE, INC. (US) 2011-11-24 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-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3CG 14/4885PIK3R1 70/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PIK3CD 18/4885PIK3CG 32/4885PIK3R1 119/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3R1 27/4885
US-11459306-B2 Compounds, compositions, and methods for treating T-cell acute lymphoblastic leukemia BCL9, BCL3, MCL1 PIK3CD 15/4885PIK3CG 11/4885PIK3R1 28/4885
US-20200165211-A1 Compounds, Compositions, and Methods for Treating T-Cell Acute Lymphoblastic Leukemia BCL9, BCL3, MCL1 PIK3CD 15/4885PIK3CG 11/4885PIK3R1 28/4885
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885PIK3R1 27/4885

“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.