SCHEMBL25637727

SCHEMBL25637727

COc1cc2c(cc1[N+](=O)[O-])-c1cnn(C)c1CCO2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ PLK3 Q9H4B4 1/20 0.34
▸ HTT P42858 2/20 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
SCHEMBL25056352 0.80 PLK1 (0.35) LMNAMAPTPOLBPLK1CSNK2A1
SCHEMBL25637647 0.79 SIRT6 (0.39) CYP1A2CYP2C19SIRT6CYP2D6ALDH1A1
SCHEMBL25637752 0.78 PKM (0.37) SIRT6ALDH1A1LMNAMAPTKMT2A
SCHEMBL25056275 0.78 S1PR1 (0.35) SIRT6ALDH1A1LMNAMAPTKMT2A
SCHEMBL25637658 0.78 PKM (0.38) CYP1A2CYP2C19SIRT6ALDH1A1LMNA
SCHEMBL25637849 0.77 SIRT6 (0.38) SIRT6ALDH1A1LMNAMAPTKMT2A
SCHEMBL25637720 0.76 SIRT6 (0.39) CYP1A2CYP2C19SIRT6ALDH1A1LMNA
SCHEMBL25637771 0.76 SIRT6 (0.39) CYP1A2CYP2C19SIRT6ALDH1A1LMNA
SCHEMBL25637694 0.76 ALDH1A1 (0.38) CYP1A2CYP2C19SIRT6CYP2D6ALDH1A1
SCHEMBL25637666 0.75 TDP1 (0.40) CYP1A2CYP2C19SIRT6ALDH1A1LMNA

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 CYP1A2 2281/4885CYP2C19 698/4885SIRT6 4278/4885

“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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