SCHEMBL6491679

SCHEMBL6491679

O=C(NC1CC2CNC1C2)c1ncc(-c2cccc(F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
DGAT1 O75907 6/20 0.40
ULK1 O75385 2/20 0.38
MAP4K4 O95819 3/20 0.38
CHEK1 O14757 5/20 0.37
CDK2AP1 O14519 1/20 0.37
MELK Q14680 3/20 0.37
KCNH2 Q12809 2/20 0.37
PLK4 O00444 1/20 0.37
GAK O14976 1/20 0.37
JAK2 O60674 1/20 0.37
RPS6KA4 O75676 1/20 0.37
STK10 O94804 1/20 0.37
PRKD3 O94806 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
FES P07332 1/20 0.37

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
SCHEMBL6502161 0.90 HDAC1 (0.43) USP30DGAT1ULK1CHEK1CDK2AP1
SCHEMBL6500752 0.90 USP30 (0.52) USP30DGAT1
SCHEMBL6489240 0.89 USP30 (0.43) USP30DGAT1CHEK1
SCHEMBL6499660 0.89 USP30 (0.43) USP30DGAT1
SCHEMBL6497610 0.88 HDAC6 (0.47) USP30DGAT1CHEK1CDK2AP1GRM5
SCHEMBL6497171 0.88 HDAC1 (0.46) USP30DGAT1GRM5
SCHEMBL6487221 0.85 HDAC6 (0.49) USP30DGAT1CHEK1
SCHEMBL6487585 0.85 DGAT1 (0.39) USP30DGAT1
SCHEMBL6490517 0.85 NQO2 (0.44) USP30DGAT1CHEK1FYN
SCHEMBL6491156 0.84 USP30 (0.41) USP30DGAT1CHEK1CDK2AP1FYN

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 3442/4885DGAT1 2495/4885ULK1 4223/4885

“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.