SCHEMBL26516735

SCHEMBL26516735

Cn1c(-c2ccc(S(C)(=O)=O)cc2F)cc2ncc(-c3ccc(N4CCN5CCCC5C4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HTR6 P50406 5/20 0.39
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ PRKDC P78527 3/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ GABRA2 P47869 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ PIK3CA P42336 2/20 0.33
▸ MTOR P42345 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
SCHEMBL30360625 1.00 HRH3 (0.41) HRH3HTR6ALOX5APFEN1PRKDC
SCHEMBL26516742 0.91 MAP4K1 (0.40) ALOX5APFEN1PRKDCMAP4K1ACVR1
SCHEMBL30360600 0.89 HRH3 (0.45) HRH3HTR6PRKDCMAP4K1PTGS1
SCHEMBL26516668 0.89 HRH3 (0.45) HRH3HTR6PRKDCMAP4K1PTGS1
SCHEMBL26516738 0.84 PRKDC (0.37) PRKDCMAP4K1PTGS1PTGS2ACVR1
SCHEMBL30360618 0.84 PRKDC (0.37) PRKDCMAP4K1PTGS1PTGS2ACVR1
SCHEMBL30360607 0.82 MAP4K1 (0.41) HRH3PRKDCMAP4K1PTGS1PTGS2
SCHEMBL26516732 0.82 MAP4K1 (0.41) HRH3PRKDCMAP4K1PTGS1PTGS2
SCHEMBL26516667 0.72 MAP4K1 (0.39) PRKDCMAP4K1PTGS2GPR119PIK3CA
SCHEMBL29006623 0.71 MAP4K1 (0.41) MAP4K1ACVR1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115956077-A Substituted heteroaryl compounds as TLR9 inhibitors 百时美施贵宝公司 2023-04-11 — — CN claimed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — 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 (1 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-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 HRH3 99/4885HTR6 1737/4885ALOX5AP 3687/4885

“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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