SCHEMBL13638689

SCHEMBL13638689

CC1CCC(CNC(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
HTR2C P28335 1/20 0.32
HTT P42858 1/20 0.32
SAT1 P21673 1/20 0.30
ACHE P22303 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL15200275 1.00 SIGMAR1 (0.40) SIGMAR1JAK2JAK1TYK2HTR2C
SCHEMBL9911345 1.00 SIGMAR1 (0.40) SIGMAR1JAK2JAK1TYK2HTR2C
SCHEMBL104225 0.90
SCHEMBL13884246 0.90 SIGMAR1 (0.45) SIGMAR1JAK2JAK1TYK2HTR2C
SCHEMBL17369631 0.90 SIGMAR1 (0.45) SIGMAR1JAK2JAK1TYK2HTR2C
Hydrochloric Acid SCHEMBL21879609 0.87
SCHEMBL23634161 0.84 SIGMAR1 (0.39) SIGMAR1JAK2JAK1TYK2HTR2C
SCHEMBL105260 0.82 HTT (0.41) SIGMAR1HTR2CHTT
SCHEMBL104968 0.82
SCHEMBL22899465 0.80 ADH1B (0.44) SIGMAR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (5 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-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885JAK2 184/4885JAK1 165/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885JAK2 184/4885JAK1 165/4885
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 SIGMAR1 237/4885JAK2 1073/4885JAK1 2762/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885JAK2 184/4885JAK1 165/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 SIGMAR1 3199/4885JAK2 184/4885JAK1 165/4885

“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.