SCHEMBL25637760

SCHEMBL25637760

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ HTR1D P28221 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PLK1 P53350 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34

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 0.89 PKM (0.38) PKMTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL25637761 0.86 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KMT2ALMNAPLK1
SCHEMBL25637659 0.85 CHRM4 (0.35) PKMHTR1AHTR1DHTR1BTDP1
SCHEMBL25637647 0.84 SIRT6 (0.39) PKMTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL25637694 0.83 ALDH1A1 (0.38) PKMTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL25637666 0.80 TDP1 (0.40) PKMTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL25640764 0.80 SIK2 (0.35) PKMTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL25637686 0.80 SIRT6 (0.34) PKMTDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL25642368 0.80 SIRT6 (0.34) PKMTDP1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL25637702 0.79 CYP11B1 (0.36) PKMTDP1ALDH1A1SMN1; SMN2RAB9A

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 PKM 2484/4885HTR1A 3163/4885HTR1D 3848/4885

“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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