SCHEMBL29741986

SCHEMBL29741986

Cc1nn(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
MAPT P10636 6/20 0.56
CNR2 P34972 4/20 0.53
CHEK1 O14757 1/20 0.50
DAPK3 O43293 1/20 0.50
GRK5 P34947 1/20 0.50
LIMK1 P53667 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.45
ACHE P22303 1/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL12193567 1.00 L3MBTL1 (0.63) L3MBTL1MAPTCNR2CHEK1DAPK3
Ammonia Solution, Strong SCHEMBL27978075 0.98 L3MBTL1 (0.62) L3MBTL1MAPTCNR2CHEK1DAPK3
SCHEMBL3380500 0.87 L3MBTL1 (0.52) L3MBTL1MAPTCNR2CHEK1DAPK3
SCHEMBL29094193 0.84 L3MBTL1 (0.63) L3MBTL1MAPTCNR2CYP3A4ALDH1A1
SCHEMBL28213722 0.83 MAPT (0.51) L3MBTL1MAPTCNR2CYP3A4ALDH1A1
SCHEMBL30628634 0.83 L3MBTL1 (0.62) L3MBTL1MAPTCNR2CYP3A4ALDH1A1
SCHEMBL7115402 0.83 L3MBTL1 (0.62) L3MBTL1MAPTCNR2CYP3A4ALDH1A1
SCHEMBL14908618 0.83 L3MBTL1 (0.62) L3MBTL1MAPTCNR2CYP3A4ALDH1A1
SCHEMBL31745993 0.83 L3MBTL1 (0.62) L3MBTL1MAPTCNR2MEN1KMT2A
SCHEMBL13106155 0.83 L3MBTL1 (0.62) L3MBTL1MAPTCNR2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP 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 (2 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 L3MBTL1 3227/4885MAPT 2050/4885CNR2 1753/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 L3MBTL1 3227/4885MAPT 2050/4885CNR2 1753/4885

“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.