SCHEMBL5133502

SCHEMBL5133502

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
PI4KB Q9UBF8 4/20 0.35
PIK3CD O00329 2/20 0.35
PIK3C2A O00443 2/20 0.35
PIK3C2B O00750 2/20 0.35
STK17A Q9UEE5 2/20 0.35
DYRK3 O43781 1/20 0.35
MAP4K4 O95819 1/20 0.35
CDK9 P50750 1/20 0.35
MAP4K2 Q12851 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
CNR1 P21554 1/20 0.34
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CNR2 P34972 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32

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
SCHEMBL5037526 0.82 PI4KB (0.33) KDM4EHSD17B10NOS3NOS2PI4KB
SCHEMBL6466538 0.82 PI4KB (0.33) KDM4EHSD17B10NOS3NOS2PI4KB
SCHEMBL6469091 0.82 PI4KB (0.33) KDM4EHSD17B10NOS3NOS2PI4KB
SCHEMBL6469032 0.82 PI4KB (0.33) KDM4EHSD17B10NOS3NOS2PI4KB
SCHEMBL5133501 0.79 KMT2A (0.47) ANO1CNR1CACNA1GCACNA1HCNR2
SCHEMBL5131540 0.77 KDM4E (0.38) KDM4EHSD17B10NOS3NOS2PI4KB
SCHEMBL5043113 0.76 HTR1A (0.41) KDM4EHSD17B10NOS3NOS2KCNH2
SCHEMBL6470690 0.76 NOS3 (0.36) KDM4EHSD17B10NOS3NOS2KCNH2
SCHEMBL5130593 0.75 CA2 (0.42) KDM4EHSD17B10NOS3NOS2KCNH2
SCHEMBL5133792 0.74 SMN1; SMN2 (0.49) EPHX2

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 5 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
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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 (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 KDM4E 3151/4885HSD17B10 1618/4885NOS3 1287/4885

“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.