SCHEMBL25112905

SCHEMBL25112905

c1cnc2c(c1)ccc1ccc(-c3cc4ccc5cccc6c7ccccc7c7ccccc7c(c3)c4c56)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.43
▸ CCR8 P51685 5/20 0.43
▸ CCR5 P51681 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GMNN O75496 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43

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
SCHEMBL25112880 0.94 CCR1 (0.40) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL25112874 0.90 CCR1 (0.39) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL25112924 0.88 CCR1 (0.37) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL12955085 0.87 CCR1 (0.53) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL25112891 0.87 CCR1 (0.41) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL14500346 0.86 CCR1 (0.43) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL13615941 0.86 CCR1 (0.46) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL13615906 0.86 CCR1 (0.46) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL13615755 0.86 CCR1 (0.46) CCR1CCR8CCR5MAPTSMN1; SMN2
SCHEMBL24992510 0.83 CCR1 (0.42) CCR1CCR8CCR5MAPTSMN1; SMN2

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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-03-16 — — 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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 CCR1 1810/4885CCR8 3519/4885CCR5 3362/4885

“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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