SCHEMBL2611077

SCHEMBL2611077

CC(C)c1nccc2cncnc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.34
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
EPHB4 P54760 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL2618981 0.75 CYP2A6 (0.41) EGFR
SCHEMBL31065825 0.75 EGFR (0.41) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23178627 0.74 EGFR (0.31) EGFR
SCHEMBL13452501 0.73 CCR1 (0.52) MTOR
SCHEMBL10058347 0.73 CCR1 (0.34)
SCHEMBL18779069 0.73 CCR1 (0.57)
SCHEMBL14134266 0.72 LMNA (0.40) KDR
SCHEMBL18791475 0.71 PAK4 (0.37)
SCHEMBL18791200 0.71 CCR1 (0.33)
SCHEMBL29439760 0.71 EGFR (0.38) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-04-01 US disclosed
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-01 US disclosed
US-20190330228-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-10-31 US disclosed
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-09-19 US disclosed
US-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-25 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-9994555-B2 Chromenone inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2018-06-12 US disclosed
US-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-01-11 US disclosed
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-05-12 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 US disclosed
US-7893059-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-02-22 US disclosed
US-7846929-B2 Using 1-(4-((2-(aminopyrimidin-5-yl)-4-morpholinothieno(3,2-d)pyrimidin-6-yl)methyl)piperazin-1-yl)-2-(methylsulfonyl)ethanone; lipid kinase inhibitor; anticancer agents ; antiinflammatory agents; antidiabetic agents GENENTECH, INC. (US) 2010-12-07 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 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 (14 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B EGFR 2057/4885PIK3CD 10/4885ABL1 401/4885
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB EGFR 1332/4885PIK3CD 2/4885ABL1 312/4885
US-20190282582-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 EGFR 2486/4885PIK3CD 1908/4885ABL1 4442/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG EGFR 3873/4885PIK3CD 2/4885ABL1 986/4885
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 EGFR 1210/4885PIK3CD 1527/4885ABL1 3779/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA EGFR 1119/4885PIK3CD 5/4885ABL1 581/4885
US-20180008605-A1 PTERIDINE DIONE MONOCARBOXYLATE TRANSPORTER INHIBITORS SLC16A1, SLC16A3, SLC16A7 EGFR 2486/4885PIK3CD 1908/4885ABL1 4442/4885
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 EGFR 1141/4885PIK3CD 1590/4885ABL1 3916/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA EGFR 2158/4885PIK3CD 11/4885ABL1 419/4885
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA EGFR 3093/4885PIK3CD 2/4885ABL1 700/4885
US-20190330228-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 EGFR 1339/4885PIK3CD 1660/4885ABL1 3790/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 EGFR 3041/4885PIK3CD 1732/4885ABL1 2341/4885
US-10328078-B2 Pteridine dione monocarboxylate transporter inhibitors SLC16A1, SLC16A3, SLC16A7 EGFR 2486/4885PIK3CD 1908/4885ABL1 4442/4885
US-20110207713-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB EGFR 2049/4885PIK3CD 2/4885ABL1 811/4885

“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.