SCHEMBL5873211

SCHEMBL5873211

Cc1cccc2c(-c3nc(C(=O)N4CCC(N5CCCC5)CC4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
SMYD2 Q9NRG4 1/20 0.43
HRH3 Q9Y5N1 4/20 0.40
PIM1 P11309 1/20 0.39
KDM5A P29375 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL3 Q96JM7 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
MBTD1 Q05BQ5 1/20 0.37
TP53BP1 Q12888 1/20 0.37
CALCA P06881 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
SIGLEC9 Q9Y336 1/20 0.35

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
SCHEMBL5872873 0.99 CYP2C9 (0.47) CYP2C9SMYD2HRH3PIM1KDM5A
SCHEMBL5873046 0.95 CYP2C9 (0.43) CYP2C9SMYD2HRH3PIM1KDM5A
SCHEMBL5873160 0.93 CYP2C9 (0.42) CYP2C9SMYD2PIM1
SCHEMBL5872880 0.91 CYP2C9 (0.43) CYP2C9PIM1KDM5A
SCHEMBL5769674 0.89 PIM1 (0.40) CYP2C9PIM1KDM5ALMNASIGLEC9
SCHEMBL5873060 0.88 DYRK1A (0.40) CYP2C9PIM1KDM5ASIGLEC9
SCHEMBL5770048 0.87 PIM1 (0.43) PIM1KDM5A
SCHEMBL5795447 0.87 PIM1 (0.41) PIM1HRH4
SCHEMBL5872872 0.87 MKNK1 (0.45) PIM1KDM5ALMNAHRH4
SCHEMBL5872978 0.86 CYP2C9 (0.42) CYP2C9SMYD2HRH3PIM1KDM5A

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 CYP2C9 695/4885SMYD2 2519/4885HRH3 3974/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CYP2C9 695/4885SMYD2 2519/4885HRH3 3974/4885

“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.