SCHEMBL4099294

SCHEMBL4099294

C#Cc1ccc(C(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.68
GRM3 Q14832 1/20 0.62
NAMPT P43490 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
MAPT P10636 1/20 0.49
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL3 Q96JM7 6/20 0.49
MBTD1 Q05BQ5 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TP53BP1 Q12888 1/20 0.49
L3MBTL4 Q8NA19 1/20 0.49
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL22031683 0.86 GRM5 (0.51) GRM5GRM3MAPTHSD11B1MGLL
SCHEMBL21078241 0.82 L3MBTL3 (0.55) GRM5MAPTHSD11B1MGLLMEN1
SCHEMBL29614929 0.81 HPGD (0.71) MAPTMEN1KMT2AL3MBTL3MBTD1
SCHEMBL3637291 0.81 GRM5 (1.00) GRM5GRM3NAMPTL3MBTL3L3MBTL1
SCHEMBL19877540 0.81 EPHX1 (0.57) GRM5MAPTMEN1KMT2AEPHX2
SCHEMBL19891353 0.81 L3MBTL3 (0.78) MEN1KMT2AL3MBTL3MBTD1L3MBTL1
SCHEMBL28422447 0.81 HTT (0.47) GRM5GRM3MAPTHSD11B1MGLL
SCHEMBL3641180 0.80 GRM5 (0.76) GRM5GRM3HSD11B1MGLLMEN1
SCHEMBL14661704 0.79 GRM5 (0.68) GRM5MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL166200 0.79 PHGDH (0.63) MAPTKMT2AL3MBTL1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117980297-A Substituted aminopyridine compounds as EGFR inhibitors 柳韩洋行 2024-05-03 CN disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
US-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG 2009-07-02 US disclosed
CN-101277962-A Bicyclic aromatic compounds useful as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 NOVARTIS PHARMA AG (CH) 2008-10-01 CN disclosed
EP-1934223-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Novartis Pharma AG (CH) 2008-06-25 EP disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 WO disclosed
WO-2007039285-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 NOVARTIS AG (CH) 2007-04-12 WO 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-20090169558-A1 BICYCLIC AROMATIC COMPOUNDS USEFUL AS INHIBITORS OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 MAP4K2, MAPKAPK2, MAP3K2 GRM5 3693/4885GRM3 2842/4885NAMPT 2796/4885

“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.