SCHEMBL1366923

SCHEMBL1366923

O=C(N[C@H]1CN(C(=O)O)C[C@@H]1F)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.46
USP30 Q70CQ3 3/20 0.46
HPGDS O60760 2/20 0.41
MAP4K4 O95819 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL1365962 0.89 HPGDS (0.41) RIPK1HPGDSMAP4K4HDAC3HDAC4
SCHEMBL1365108 0.87 MAP4K4 (0.50) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1364924 0.86 HDAC3 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1364922 0.86 HDAC3 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL4085534 0.86 HDAC3 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1364921 0.86 HDAC3 (0.46) HPGDSMAP4K4HDAC3HDAC4HDAC7
SCHEMBL1366021 0.81 DRD2 (0.52) USP30HPGDSMAP4K4
SCHEMBL1542844 0.78 HPGDS (0.55) USP30HPGDSMAP4K4
SCHEMBL1366297 0.76 MAP4K4 (0.46) HPGDSMAP4K4HDAC3HDAC6
SCHEMBL1366300 0.76 MAP4K4 (0.46) HPGDSMAP4K4HDAC3HDAC6

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-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 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 (2 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S RIPK1 4627/4885USP30 4116/4885HPGDS 99/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S RIPK1 4627/4885USP30 4116/4885HPGDS 99/4885

“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.