SCHEMBL23844622

SCHEMBL23844622

CSCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.52
▸ CYSLTR1 Q9Y271 2/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.49
▸ PDE10A Q9Y233 3/20 0.46
▸ CYP2E1 P05181 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NCF1 P14598 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ PRNP P04156 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL2877991 0.83 CYSLTR1 (0.52) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL14086502 0.81 PDE10A (0.50) CYP1A2CYSLTR1CYSLTR2PDE10ACYP3A4
SCHEMBL7085590 0.80 CYSLTR1 (0.49) CYP1A2CYSLTR1CYSLTR2PDE10ACYP2E1
SCHEMBL5594068 0.79 CYP1A2 (0.45) CYP1A2CYSLTR1CYSLTR2PDE10ACYP2E1
SCHEMBL3704591 0.78 CYSLTR1 (0.51) CYP1A2CYSLTR1CYSLTR2PDE10ACYP2E1
SCHEMBL20228144 0.78 PDE10A (0.48) CYP1A2CYSLTR1CYSLTR2PDE10ACYP3A4
SCHEMBL5594071 0.77 CYSLTR1 (0.46) CYP1A2CYSLTR1CYSLTR2PDE10ACYP2E1
SCHEMBL10546745 0.77 CYSLTR2 (0.50) CYP1A2CYSLTR1CYSLTR2PDE10ACYP2E1
SCHEMBL153778 0.77 CYSLTR1 (0.53) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL29405396 0.77 CYSLTR1 (0.53) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 — — 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-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 CYP1A2 3926/4885CYSLTR1 326/4885CYSLTR2 559/4885

“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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