SCHEMBL16373134

SCHEMBL16373134

CC#CCNC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
GAA P10253 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL19135517 0.82 ALDH1A1 (0.33) CYP2D6CYP2C19ALDH1A1MAPTLMNA
SCHEMBL19882806 0.82 GRIK1 (0.40) CYP2D6CYP2C19ALDH1A1MAPTLMNA
SCHEMBL19135458 0.82 ALDH1A1 (0.33) CYP2D6CYP2C19ALDH1A1MAPTLMNA
SCHEMBL23957873 0.81 CYP2D6 (0.39) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL26203718 0.79 CYP2D6 (0.38) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL25514818 0.77 CYP2D6 (0.37) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL1694479 0.77
SCHEMBL25815757 0.76 KMT2A (0.38) CYP2D6CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL16307349 0.76 SLC7A5 (0.50) CYP2D6CYP2C19MAPTGRIK1GRIK2
SCHEMBL4807821 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4260396-A2 ELECTROLYTES FOR LITHIUM-ION BATTERY CELLS WITH VOLUME-CHANGING ANODE PARTICLES Sila Nanotechnologies Inc. (US) 2023-10-18 EP disclosed
WO-2022147465-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-07-07 WO disclosed
WO-2022126139-A2 ELECTROLYTES FOR LITHIUM-ION BATTERY CELLS WITH VOLUME-CHANGING ANODE PARTICLES SILA NANOTECHNOLOGIES INC. (US) 2022-06-16 WO disclosed
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 US disclosed
US-10874743-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20150315146-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-05 US disclosed
US-20150315146-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-05 US disclosed
US-20150305334-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-10-29 US disclosed
US-20150305334-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-10-29 US disclosed
US-9139577-B2 Sulfoximine substituted quinazolines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US disclosed
US-20150005278-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-01 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 (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-10874743-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885CYP2C19 3990/4885CYP2C9 3608/4885
US-20150315146-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYLETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS AAK1, SYMPK, CBR1 CYP2D6 709/4885CYP2C19 635/4885CYP2C9 766/4885
US-20150005278-A1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS NEK5, SIK2, PDXK CYP2D6 1776/4885CYP2C19 1711/4885CYP2C9 1670/4885
US-20150305334-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CAT, NAT1 CYP2D6 705/4885CYP2C19 861/4885CYP2C9 1297/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885CYP2C19 3990/4885CYP2C9 3608/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885CYP2C19 3990/4885CYP2C9 3608/4885

“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.