SCHEMBL6501682

SCHEMBL6501682

Cc1ccc(-c2cnc(C(=O)NC3CC4CNC3C4)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
DGAT1 O75907 10/20 0.39
CNR1 P21554 2/20 0.35
CDK2AP1 O14519 1/20 0.33
CHEK1 O14757 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL6491156 0.90 USP30 (0.41) USP30HDAC1HDAC6DGAT1CDK2AP1
SCHEMBL6497171 0.90 HDAC1 (0.46) USP30HDAC1HDAC6DGAT1
SCHEMBL6486763 0.89 HDAC1 (0.43) USP30HDAC1HDAC6DGAT1CNR1
SCHEMBL6486393 0.89 USP30 (0.41) USP30HDAC1HDAC6DGAT1CHEK1
SCHEMBL6502161 0.89 HDAC1 (0.43) USP30HDAC1HDAC6DGAT1CDK2AP1
SCHEMBL6500752 0.89 USP30 (0.52) USP30HDAC1HDAC6DGAT1
SCHEMBL6495918 0.89 HDAC1 (0.46) USP30HDAC1HDAC6DGAT1
SCHEMBL6499341 0.88 DGAT1 (0.45) USP30DGAT1
SCHEMBL6489240 0.84 USP30 (0.43) USP30HDAC1HDAC6DGAT1CHEK1
SCHEMBL6499660 0.84 USP30 (0.43) USP30HDAC1HDAC6DGAT1

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 USP30 3442/4885HDAC1 467/4885HDAC6 1069/4885

“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.