SCHEMBL23870602

SCHEMBL23870602

CCC(C)c1cccc2nccnc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SELPLG Q14242 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.38
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12386874 0.88 TSHR (0.39) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL20763741 0.86 MAPT (0.41) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL12338365 0.81 MAPT (0.48) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL29697604 0.79 PSMD14 (0.48) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL22702427 0.79 PSMD14 (0.48) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL1224477 0.79 PSMD14 (0.48) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL27328332 0.78 KDM4E (0.46) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL22864221 0.78 KDM4E (0.40) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL20759412 0.77 MAPT (0.45) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL14464030 0.77 MAPT (0.45) TSHRKDM4EMAPTALDH1A1MEN1

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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 — — US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE 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-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 TSHR 278/4885KDM4E 2388/4885MAPT 4654/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 TSHR 384/4885KDM4E 2371/4885MAPT 4651/4885

“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.

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