SCHEMBL6499357

SCHEMBL6499357

O=C(NC1CC2CNC1C2)c1ncc(-c2ccccc2NC(=O)C(F)(F)F)s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.35
USP30 Q70CQ3 2/20 0.34
DGAT1 O75907 5/20 0.34
JAK2 O60674 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KLK7 P49862 1/20 0.31
ADRA2A P08913 1/20 0.31
HDAC1 Q13547 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC2 Q92769 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
SCHEMBL6489257 0.88 USP30 (0.38) PARP14USP30DGAT1HDAC1HDAC8
SCHEMBL6488437 0.85 CHRNA7 (0.38) PARP14TP53HDAC6
SCHEMBL6503138 0.84 PARP14 (0.35) PARP14USP30DGAT1JAK2TP53
SCHEMBL6499796 0.84 USP30 (0.38) USP30DGAT1HDAC1HDAC8HDAC6
SCHEMBL6503084 0.83 DGAT1 (0.43) USP30DGAT1
SCHEMBL6487585 0.83 DGAT1 (0.39) USP30DGAT1TP53MAPTHDAC6
SCHEMBL6490592 0.83 USP30 (0.38) USP30DGAT1HDAC1HDAC8HDAC6
SCHEMBL6496592 0.82 FAAH (0.35) PARP14JAK2TP53MAPTHTT
SCHEMBL6496164 0.82 HDAC1 (0.45) USP30DGAT1HDAC1HDAC8HDAC6
SCHEMBL6495825 0.82 USP30 (0.38) USP30DGAT1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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 (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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 PARP14 1038/4885USP30 3442/4885DGAT1 2495/4885

“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.