SCHEMBL9327435

SCHEMBL9327435

CCOc1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
MAPK1 P28482 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL8597281 0.86 SMN1; SMN2 (0.47) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL29179660 0.83 HTT (0.45) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL8560385 0.83 ALDH1A1 (0.43) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4594918 0.81 MAPT (0.46) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL26647446 0.81 MAPT (0.46) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL21187178 0.79 MAPT (0.45) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL11553810 0.78 MAPT (0.57) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL8356136 0.78 MAPT (0.61) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL24455815 0.78 NOS3 (0.50) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL8567785 0.78 PIN1 (0.53) MAPTKMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
EP-0453885-B1 Process for the preparation of aromatic amines BAYER AG (DE) 1994-03-16 EP disclosed
US-5262539-A Process for the preparation of aromatic amines BAYER AKTIENGESELLSCHAFT (DE) 1993-11-16 US disclosed
EP-0453885-A2 Process for the preparation of aromatic amines BAYER AG (DE) 1991-10-30 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 (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-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 MAPT 2697/4885ALDH1A1 1657/4885LMNA 2009/4885

“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.