SCHEMBL5872866

SCHEMBL5872866

CNC1CCN(C(=O)c2nc(-c3n[nH]c4c(C)c(Cl)ccc34)sc2-c2cccnc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.40
DYRK1A Q13627 3/20 0.37
SIGLEC9 Q9Y336 2/20 0.37
HRH4 Q9H3N8 4/20 0.37
ADORA2B P29275 1/20 0.35
WNT1 P04628 2/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PIM1 P11309 1/20 0.34
SPR P35270 1/20 0.34

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
SCHEMBL5872923 0.90 HRH4 (0.45) KDM5ADYRK1ASIGLEC9HRH4ADORA2B
SCHEMBL5770207 0.90 KDM5A (0.41) KDM5AADORA2BPIM1
SCHEMBL5774120 0.88 KDM5A (0.40) KDM5ADYRK1AWNT1HCRTR1HCRTR2
SCHEMBL5873094 0.87 ADORA2A (0.37) KDM5AADORA2BHCRTR1HCRTR2PIM1
SCHEMBL5770403 0.85 PIM1 (0.42) KDM5ADYRK1AWNT1HCRTR1HCRTR2
SCHEMBL5872958 0.85 MKNK1 (0.43) KDM5AHCRTR1HCRTR2PIM1
SCHEMBL5873158 0.84 PIM1 (0.39) KDM5ADYRK1AWNT1HCRTR1HCRTR2
SCHEMBL5872913 0.83 DYRK1A (0.40) KDM5ADYRK1AWNT1HCRTR1HCRTR2
SCHEMBL5872792 0.83 TSHR (0.41) PIM1
SCHEMBL5873025 0.83 ALDH1A1 (0.43) HCRTR1HCRTR2PIM1

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 KDM5A 2543/4885DYRK1A 1836/4885SIGLEC9 3645/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM5A 2543/4885DYRK1A 1836/4885SIGLEC9 3645/4885

“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.