SCHEMBL5833748

SCHEMBL5833748

Cc1ccc(C)n1-c1cccc(-c2ccc(F)c3ccccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.41
HTR2B P41595 1/20 0.41
GPR65 Q8IYL9 1/20 0.41
NOS3 P29474 5/20 0.33
NOS1 P29475 5/20 0.33
NOS2 P35228 5/20 0.33
HPGD P15428 2/20 0.32
PDE10A Q9Y233 1/20 0.32
AR P10275 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPN11 Q06124 1/20 0.31
LMNA P02545 1/20 0.30
PDE7A Q13946 1/20 0.30

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
SCHEMBL6584803 0.84 AR (0.32) ARL3MBTL1MAPT
SCHEMBL5833268 0.82 IDO1 (0.38) NOS3NOS1NOS2HPGDALDH1A1
SCHEMBL6622616 0.79 MAP3K5 (0.38) ARMAPTHSD11B1
SCHEMBL5833356 0.75 NOS3 (0.43) NOS3NOS1NOS2L3MBTL1MAPT
SCHEMBL2969912 0.73 RAB9A (0.54) HPGDPDE10AALDH1A1KDM4EMAPT
SCHEMBL5833512 0.72 NOS3 (0.45) NOS3NOS1NOS2L3MBTL1
SCHEMBL18586993 0.71 MAPT (0.45) HPGDL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL8090303 0.71 MEN1 (0.47) ALDH1A1MAPT
SCHEMBL5833744 0.70 HTR1B (0.43) HTR1BHTR2BGPR65HPGDAR
SCHEMBL11961418 0.69 HTR1B (0.44) HTR1BHTR2BGPR65HPGDALDH1A1

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 13 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
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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
EP-1155000-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PROD INC (US) 2003-07-16 EP disclosed
US-6372768-B2 NERVOUS SYSTEM DISORDERS PFIZER INC 2002-04-16 US disclosed
US-20010049379-A1 2-aminopyridines containing fused ring substituents LOWE JOHN ADAMS (US) 2001-12-06 US disclosed
EP-1155000-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS Pfizer Products Inc. (US) 2001-11-21 EP disclosed
US-20010014689-A1 2-aminopyridines containing fused ring substituents LOWE JOHN A (US) 2001-08-16 US disclosed
US-6211208-B1 INHIBITION OF NITRIC OXIDE SYNTHETASE, ANTIINFLAMMATORY AGENTS PFIZER INC 2001-04-03 US disclosed
WO-2000050400-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS PFIZER PRODUCTS INC. (US) 2000-08-31 WO 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 (4 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 HTR1B 204/4885HTR2B 342/4885GPR65 1921/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 HTR1B 533/4885HTR2B 634/4885GPR65 732/4885
US-20010014689-A1 2-aminopyridines containing fused ring substituents CBR1, CBR3, NOS2 HTR1B 539/4885HTR2B 833/4885GPR65 3485/4885
US-20010049379-A1 2-aminopyridines containing fused ring substituents NOS2, NOS1, NOS3 HTR1B 204/4885HTR2B 342/4885GPR65 1921/4885

“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.