SCHEMBL5833360

SCHEMBL5833360

Cc1ccc(-c2cccc(NC(=O)C(C)(C)C)n2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
ADORA1 P30542 2/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ABL1 P00519 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 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
SCHEMBL5833108 0.80 ADORA1 (0.39) HPGDKDM4ELMNAADORA1MAPK1
SCHEMBL7478159 0.77 MAP3K5 (0.45) LMNAADORA1MEN1KMT2AMAPT
SCHEMBL921576 0.76 L3MBTL1 (0.54) HPGDKDM4ELMNAADORA1NPSR1
SCHEMBL30485981 0.74 RAB9A (0.68) SMN1; SMN2MEN1KMT2ATP53MAPT
SCHEMBL126159 0.74 RAB9A (0.68) SMN1; SMN2MEN1KMT2ATP53MAPT
SCHEMBL7477975 0.72 MAP3K5 (0.40) ADORA1ALDH1A1MEN1KMT2ATP53
SCHEMBL8459589 0.72 NOS1 (0.43) LMNAADORA1MEN1KMT2A
SCHEMBL7474902 0.72 HSD17B14 (0.42) ADORA1MEN1KMT2ATP53MAPT
SCHEMBL2144361 0.71 KDM4E (0.50) KDM4ELMNAADORA1MAPK1ALDH1A1
SCHEMBL7480623 0.71 ADORA1 (0.39) LMNAADORA1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012078-B2 2-aminopyridines containing fused ring substituents PFIZER INC. (US) 2006-03-14 US disclosed
EP-1007520-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PROD INC (US) 2003-08-27 EP disclosed
US-20030149017-A1 2-Aminopyridines containing fused ring substituents PFIZER INC. 2003-08-07 US disclosed
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 US disclosed
EP-1007520-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 EP disclosed
WO-1999010339-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-04 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 (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-20030149017-A1 2-Aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 HPGD 246/4885KDM4E 1934/4885LMNA 3027/4885
US-20010049379-A1 2-aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 HPGD 246/4885KDM4E 1934/4885LMNA 3027/4885

“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.