SCHEMBL5873158

SCHEMBL5873158

Cc1c(Cl)ccc2c(-c3nc(C(=O)N4CC(N5CCN(C)CC5)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
KDM5A P29375 1/20 0.35
DYRK1A Q13627 4/20 0.34
HCRTR1 O43613 7/20 0.34
HCRTR2 O43614 7/20 0.34
WNT1 P04628 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
PDE10A Q9Y233 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KRAS P01116 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
SCHEMBL5770403 0.92 PIM1 (0.42) PIM1KDM5ADYRK1AHCRTR1HCRTR2
SCHEMBL5873094 0.89 ADORA2A (0.37) PIM1KDM5AHCRTR1HCRTR2PDE10A
SCHEMBL5775804 0.87 PIM1 (0.38) PIM1KDM5ADYRK1AHCRTR1HCRTR2
SCHEMBL5770207 0.86 KDM5A (0.41) PIM1KDM5A
SCHEMBL5872958 0.85 MKNK1 (0.43) PIM1KDM5AHCRTR1HCRTR2ALDH1A1
SCHEMBL5873054 0.84 PIM1 (0.40) PIM1HCRTR1HCRTR2ALDH1A1HTT
SCHEMBL5774120 0.84 KDM5A (0.40) PIM1KDM5ADYRK1AHCRTR1HCRTR2
SCHEMBL5873052 0.84 HCRTR1 (0.34) KDM5ADYRK1AHCRTR1HCRTR2ALDH1A1
SCHEMBL5872866 0.84 KDM5A (0.40) PIM1KDM5ADYRK1AHCRTR1HCRTR2
SCHEMBL5872913 0.83 DYRK1A (0.40) PIM1KDM5ADYRK1AHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885KDM5A 2543/4885DYRK1A 1836/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885KDM5A 2543/4885DYRK1A 1836/4885

“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.