SCHEMBL5037526

SCHEMBL5037526

CC(CC(C)c1ccc(N)nc1)NCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3C2A O00443 1/20 0.33
PIK3C2B O00750 1/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK9 P50750 1/20 0.33
MAP4K2 Q12851 1/20 0.33
STK17A Q9UEE5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL6469032 1.00 PI4KB (0.33) PI4KBPIK3CDPIK3C2APIK3C2BDYRK3
SCHEMBL6469091 1.00 PI4KB (0.33) PI4KBPIK3CDPIK3C2APIK3C2BDYRK3
SCHEMBL6466538 1.00 PI4KB (0.33) PI4KBPIK3CDPIK3C2APIK3C2BDYRK3
SCHEMBL5133502 0.82 KDM4E (0.36) PI4KBPIK3CDPIK3C2APIK3C2BDYRK3
SCHEMBL5037523 0.81 KMT2A (0.43)
SCHEMBL6470782 0.81 KMT2A (0.43)
SCHEMBL6469029 0.81 KMT2A (0.43)
SCHEMBL6469088 0.81 KMT2A (0.43)
SCHEMBL6466534 0.81 KMT2A (0.43)
SCHEMBL6469027 0.79 NOS2 (0.37) KDM4EHSD17B10ALOX5APFEN1NOS3

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
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA PI4KB 4476/4885PIK3CD 3961/4885PIK3C2A 2257/4885

“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.