SCHEMBL10079668

SCHEMBL10079668

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCCC(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.71
KDM4E B2RXH2 1/20 0.71
TLR4 O00206 1/20 0.71
MEN1 O00255 1/20 0.71
ALDH1A1 P00352 1/20 0.71
LMNA P02545 1/20 0.71
TP53 P04637 1/20 0.71
TYMS P04818 1/20 0.71
GLA P06280 1/20 0.71
POLB P06746 1/20 0.71
HMGB1 P09429 1/20 0.71
MAPT P10636 1/20 0.71
FOLR2 P14207 1/20 0.71
FOLR1 P15328 1/20 0.71
HPGD P15428 1/20 0.71
ALOX15 P16050 1/20 0.71
ALOX12 P18054 1/20 0.71
GART P22102 1/20 0.71
APEX1 P27695 1/20 0.71
CASP1 P29466 1/20 0.71

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
SCHEMBL22594895 0.92 DHFR (0.61) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL25722178 0.91 CA1 (0.70) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL4814461 0.90 CA1 (0.69) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL25000315 0.89 DHFR (0.57) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL20223656 0.89 DHFR (0.70) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL13530089 0.88 HDAC4 (0.74) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL20386837 0.88 CA1 (0.63) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL20386833 0.88 CA1 (0.63) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL3175498 0.86 HDAC4 (0.76) DHFRKDM4ETLR4MEN1ALDH1A1
SCHEMBL13530087 0.85 CA1 (0.63) DHFRKDM4ETLR4MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy TAMBO, INC. 2023-08-17 US disclosed
US-20230172956-A1 COMBINATORIAL THERAPY FOR USE IN INDUCING IMMUNOGENIC CELL DEATH IN CANCER CELLS HARTMANN JAMES (US) 2023-06-08 US disclosed
US-20230158037-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE CELGENE CORPORATION 2023-05-25 US disclosed
US-11583536-B2 Substituted 4-aminoisoindoline-1,3-dione compounds and second active agents for combined use CELGENE CORPORATION (US) 2023-02-21 US disclosed
US-20220409582-A1 COMBINATION THERAPIES COMPRISING PANOBINOSTAT FOR THE TREATMENT OF CHOLANGIOCARCINOMA SEALD AS (NO) 2022-12-29 US disclosed
US-11311624-B2 Inhibitors of MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR and MEK/PI3K/mTOR biological pathways and methods for improving lymphatic uptake, bioavailability, and solubility of therapeutic compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-04-26 US disclosed
US-11253604-B2 Conjugate of methotrexate and peptide CAREGEN CO., LTD. (KR) 2022-02-22 US disclosed
US-20210236648-A1 CONJUGATE OF METHOTREXATE AND PEPTIDE CAREGEN CO., LTD. (KP) 2021-08-05 US disclosed
WO-2021080955-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE CELGENE CORPORATION (US) 2021-04-29 WO disclosed
WO-2021080950-A1 METHODS FOR TREATING A HEMATOLOGICAL CANCER AND THE USE OF COMPANION BIOMARKERS FOR 2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL)METHYL)BENZYL)AMINO)ISOINDOLINE-1,3-DIONE CELGENE CORPORATION (US) 2021-04-29 WO disclosed
US-20210113576-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE CELGENE CORPORATION 2021-04-22 US disclosed
US-20210116454-A1 METHODS FOR TREATING A HEMATOLOGICAL CANCER AND THE USE OF COMPANION BIOMARKERS FOR 2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL)METHYL)BENZYL)AMINO)ISOINDOLINE-1,3-DIONE CELGENE CORPORATION (US) 2021-04-22 US disclosed
US-20200164081-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR AND MEK/PI3K/mTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-28 US disclosed
WO-2018136778-A1 TELODENDRIMERS WITH RIBOFLAVIN MOIETIES AND NANOCARRIERS AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-07-26 WO disclosed
WO-2017210489-A1 COMPOUNDS M3 BIOTECHNOLOGY, INC. (US) 2017-12-07 WO disclosed
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND YOSHIHIRO ISHIKAWA (JP) 2012-02-02 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 (12 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-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy ICOS, CD74, PBK DHFR 127/4885KDM4E 4007/4885TLR4 928/4885
US-20230158037-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE DOT1L, CARM1, EZH2 DHFR 4491/4885KDM4E 174/4885TLR4 3349/4885
US-20210236648-A1 CONJUGATE OF METHOTREXATE AND PEPTIDE MTX1, MTX2, CCL2 DHFR 4/4885KDM4E 4119/4885TLR4 732/4885
US-11253604-B2 Conjugate of methotrexate and peptide MTX1, MTX2, CCL2 DHFR 4/4885KDM4E 4119/4885TLR4 732/4885
US-20120029167-A1 AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND SDHB, SDHA, SLC40A1 DHFR 305/4885KDM4E 2197/4885TLR4 4055/4885
US-20210113576-A1 SUBSTITUTED 4-AMINOISOINDOLINE-1,3-DIONE COMPOUNDS AND SECOND ACTIVE AGENTS FOR COMBINED USE DOT1L, CARM1, EZH2 DHFR 4464/4885KDM4E 193/4885TLR4 3296/4885
US-11311624-B2 Inhibitors of MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR and MEK/PI3K/mTOR biological pathways and methods for improving lymphatic uptake, bioavailability, and solubility of therapeutic compounds MTOR, JAK2, JAK1 DHFR 1175/4885KDM4E 1270/4885TLR4 953/4885
US-20220409582-A1 COMBINATION THERAPIES COMPRISING PANOBINOSTAT FOR THE TREATMENT OF CHOLANGIOCARCINOMA HDAC6, HDAC3, CHKA DHFR 1048/4885KDM4E 199/4885TLR4 4034/4885
US-20210116454-A1 METHODS FOR TREATING A HEMATOLOGICAL CANCER AND THE USE OF COMPANION BIOMARKERS FOR 2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL)METHYL)BENZYL)AMINO)ISOINDOLINE-1,3-DIONE MYADM, MCL1, FLI1 DHFR 302/4885KDM4E 692/4885TLR4 4465/4885
US-11583536-B2 Substituted 4-aminoisoindoline-1,3-dione compounds and second active agents for combined use DOT1L, CARM1, EZH2 DHFR 4464/4885KDM4E 193/4885TLR4 3296/4885
US-20200164081-A1 INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/mTOR AND MEK/PI3K/mTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS MTOR, JAK2, JAK1 DHFR 1175/4885KDM4E 1270/4885TLR4 953/4885
US-20230172956-A1 COMBINATORIAL THERAPY FOR USE IN INDUCING IMMUNOGENIC CELL DEATH IN CANCER CELLS HMGB1, CALR, HMGB2 DHFR 1276/4885KDM4E 3973/4885TLR4 234/4885

“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.