SCHEMBL25637762

SCHEMBL25637762

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCN2CCN1CCC(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ DRD2 P14416 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL25637761 0.85 SMN1; SMN2 (0.38) SMN1; SMN2LMNAHTTPOLBALDH1A1
SCHEMBL25056210 0.85 HTR1A (0.38) HTR2AHTR1ADRD2
SCHEMBL25637686 0.85 SIRT6 (0.34) SMN1; SMN2LMNAHTTSIRT6POLB
SCHEMBL25637694 0.85 ALDH1A1 (0.38) SMN1; SMN2LMNASIRT6ALDH1A1CYP2D6
SCHEMBL25640764 0.83 SIK2 (0.35) SMN1; SMN2LMNAHTTSIRT6ALDH1A1
SCHEMBL25637647 0.81 SIRT6 (0.39) SMN1; SMN2LMNASIRT6ALDH1A1CYP2D6
SCHEMBL25637849 0.81 SIRT6 (0.38) SMN1; SMN2LMNASIRT6POLBALDH1A1
SCHEMBL25056275 0.80 S1PR1 (0.35) LMNAHTTSIRT6POLBALDH1A1
SCHEMBL25637842 0.79 KMT2A (0.33) SMN1; SMN2LMNASIRT6ALDH1A1CYP2D6
SCHEMBL25637772 0.79 SIRT6 (0.38) LMNASIRT6POLBALDH1A1

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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 — — US disclosed
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 HTR2A 3774/4885HTR1A 3163/4885DRD2 4440/4885

“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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