SCHEMBL5873037

SCHEMBL5873037

Cc1cccc2c(-c3nc(C(=O)N4CC(N5CCOCC5)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTR2C P28335 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
PIM1 P11309 3/20 0.36
PLAUR Q03405 2/20 0.36
PIK3CD O00329 2/20 0.35
ROCK2 O75116 1/20 0.35
HTT P42858 1/20 0.34
KDM5A P29375 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRM4 Q14833 1/20 0.34
PRKDC P78527 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
SCHEMBL5873160 0.93 CYP2C9 (0.42) CYP3A4CYP2D6CYP2C9CYP2C19HTR2C
SCHEMBL5773190 0.91 HTR2C (0.45) HTR2CPIM1PLAURPIK3CDHTT
SCHEMBL5769465 0.91 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19PIM1
SCHEMBL5873046 0.88 CYP2C9 (0.43) CYP2C9HRH4PIM1KDM5AHCRTR1
SCHEMBL5772558 0.87 ADORA2A (0.39) PIM1HTTKDM5AHCRTR1HCRTR2
SCHEMBL5873018 0.86 GRM4 (0.40) CYP3A4CYP2D6CYP2C9CYP2C19PIM1
SCHEMBL5873211 0.86 CYP2C9 (0.48) CYP2C9HRH4PIM1KDM5A
SCHEMBL5772393 0.86 HCRTR1 (0.38) PIM1HTTKDM5AHCRTR1HCRTR2
SCHEMBL5873053 0.86 KDM5A (0.37) PIM1HTTKDM5AHCRTR1HCRTR2
SCHEMBL5872873 0.85 CYP2C9 (0.47) CYP2C9PIM1KDM5A

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 2 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

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-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CYP3A4 871/4885CYP2D6 605/4885CYP2C9 695/4885

“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.