SCHEMBL25637702

SCHEMBL25637702

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ PLK3 Q9H4B4 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL25637647 0.86 SIRT6 (0.39) PKMSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL25637694 0.85 ALDH1A1 (0.38) PKMSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL25637666 0.82 TDP1 (0.40) PKMSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL25056408 0.82 CYP11B2 (0.42) CYP11B1CYP11B2PLK1CSNK2A1PLK3
SCHEMBL25056359 0.82 PKM (0.38) CYP11B1CYP11B2PKMSIRT6ALDH1A1
SCHEMBL25637849 0.82 SIRT6 (0.38) PKMSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL25637686 0.80 SIRT6 (0.34) PKMSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL25637682 0.80 SIRT6 (0.36) PKMSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL25640764 0.80 SIK2 (0.35) PKMSIRT6ALDH1A1LMNASMN1; SMN2
SCHEMBL25642368 0.80 SIRT6 (0.34) PKMSIRT6ALDH1A1LMNASMN1; 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 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 CYP11B1 2006/4885CYP11B2 2668/4885PKM 2484/4885

“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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