SCHEMBL23870580

SCHEMBL23870580

CCc1nc(C(C)C)nc2sc(C)nc12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 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
SCHEMBL16604682 0.78 ADORA3 (0.33) ADORA3ADORA2AADORA2BADORA1
SCHEMBL16171327 0.77 ADORA3 (0.30) ADORA3ADORA2AADORA2BADORA1
SCHEMBL20857368 0.68 KDM4E (0.38) POLBALDH1A1LMNAMAPTTHRB
SCHEMBL15942761 0.66
SCHEMBL19523211 0.66 HTT (0.32) HTT
SCHEMBL12599611 0.65
SCHEMBL28208064 0.64
SCHEMBL19523161 0.64 LMNA (0.41) L3MBTL1ALDH1A1LMNAMAPTADORA3
SCHEMBL6760698 0.64
SCHEMBL14132816 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153730-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 US disclosed
US-20210300911-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-30 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 (2 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-20210300911-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 POLB 2131/4885L3MBTL1 1426/4885ALDH1A1 2480/4885
US-20220153730-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 POLB 2131/4885L3MBTL1 1426/4885ALDH1A1 2480/4885

“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.