SCHEMBL4677541

SCHEMBL4677541

CC(NCCc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TP53 P04637 3/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ACR P10323 2/20 0.41
MAPK8 P45983 2/20 0.39
CHEK1 O14757 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
TYRO3 Q06418 1/20 0.39
MAPK14 Q16539 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL4677543 1.00 MAPT (0.43) MAPTTP53ADORA3ADORA2AADORA2B
SCHEMBL4697781 0.87 PSEN1 (0.46) MAPTTP53ADORA3ADORA2AADORA2B
SCHEMBL4057461 0.84 PSEN1 (0.48) ADORA3ADORA2AADORA2BADORA1ACR
SCHEMBL4065957 0.82 PSEN1 (0.47) ADORA3ADORA2AADORA2BADORA1F2
SCHEMBL4698392 0.79 PSEN1 (0.45) ADORA3ADORA2AADORA2BADORA1ACR
SCHEMBL4062416 0.78 PSEN1 (0.46) TP53ADORA3ADORA2AADORA2BADORA1
SCHEMBL4056067 0.78 FFAR2 (0.48) ADORA3ADORA2AADORA2BADORA1ACR
SCHEMBL4066862 0.77 PSEN1 (0.42) ADORA3ADORA2AADORA2BADORA1MME
SCHEMBL4066251 0.76 MMP2 (0.44) MAPTTP53ADORA3ADORA2AADORA2B
SCHEMBL4060451 0.75 ADORA3 (0.48) MAPTADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958939-A2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders Pfizer Products Inc. (US) 2008-08-20 EP claimed
EP-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP claimed
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-15 US claimed
US-7244757-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-17 US claimed
EP-1735285-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP claimed
WO-2005095348-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
US-7468386-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-12-23 US disclosed
EP-1958939-A2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders Pfizer Products Inc. (US) 2008-08-20 EP disclosed
EP-1735285-B1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-07-23 EP disclosed
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2007-11-15 US disclosed
US-7244757-B2 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-17 US disclosed
EP-1735285-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP disclosed
WO-2005095348-A2 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US 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-20050222239-A1 Pyrazole-amine compounds for the treatment of neurodegenerative disorders APP, PRNP, BACE1 MAPT 13/4885TP53 1705/4885ADORA3 11/4885
US-20070265327-A1 PYRAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PRNP, BACE1 MAPT 13/4885TP53 1705/4885ADORA3 11/4885

“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.