SCHEMBL25637659

SCHEMBL25637659

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCN2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32

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
SCHEMBL25056359 0.88 PKM (0.38) PKMTDP1SMN1; SMN2SIRT6ALDH1A1
SCHEMBL25056453 0.85 CCNT1 (0.34) PKMTDP1GPR119CCNT1CDK9
SCHEMBL25637760 0.85 PKM (0.38) PKMTDP1SMN1; SMN2SIRT6ALDH1A1
SCHEMBL25056290 0.85 GPR119 (0.38) GPR119CCNT1CDK9ALDH1A1MAPT
SCHEMBL25637675 0.82 SMN1; SMN2 (0.36) CHRM4DRD2HTR7GPR119SMN1; SMN2
SCHEMBL25637878 0.82 BTK (0.38) GPR119CCNT1CDK9USP30ALDH1A1
SCHEMBL25637647 0.82 SIRT6 (0.39) PKMTDP1SMN1; SMN2SIRT6ALDH1A1
SCHEMBL25642368 0.80 SIRT6 (0.34) PKMTDP1SMN1; SMN2SIRT6ALDH1A1
SCHEMBL25637694 0.79 ALDH1A1 (0.38) PKMTDP1SMN1; SMN2SIRT6ALDH1A1
SCHEMBL25637666 0.79 TDP1 (0.40) PKMTDP1SMN1; SMN2SIRT6ALDH1A1

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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 — — 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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 CHRM4 4876/4885DRD2 4440/4885HTR7 2407/4885

“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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