SCHEMBL5872978

SCHEMBL5872978

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)N4CCC(N5CCCC5)C4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
KDM5A P29375 1/20 0.41
SMYD2 Q9NRG4 1/20 0.38
PIM1 P11309 7/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
HRH4 Q9H3N8 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
SCHEMBL5873018 0.94 GRM4 (0.40) CYP2C9KDM5APIM1HCRTR1HCRTR2
SCHEMBL5873063 0.92 PIM1 (0.40) KDM5APIM1
SCHEMBL5873046 0.91 CYP2C9 (0.43) CYP2C9KDM5ASMYD2PIM1HRH3
SCHEMBL5872868 0.90 CYP2C9 (0.40) CYP2C9KDM5ASMYD2PIM1HCRTR1
SCHEMBL5775804 0.89 PIM1 (0.38) CYP2C9KDM5APIM1HCRTR1HCRTR2
SCHEMBL5769465 0.88 CYP3A4 (0.38) CYP2C9KDM5APIM1HCRTR1HCRTR2
SCHEMBL5873198 0.87 KDM5A (0.40) KDM5APIM1HRH3HCRTR1HCRTR2
SCHEMBL5873211 0.86 CYP2C9 (0.48) CYP2C9KDM5ASMYD2PIM1HRH3
SCHEMBL5873087 0.86 KDM5A (0.39) KDM5APIM1HCRTR1HCRTR2
SCHEMBL5872806 0.86 DYRK1A (0.41) KDM5APIM1HCRTR1HCRTR2

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 695/4885KDM5A 2543/4885SMYD2 2519/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CYP2C9 695/4885KDM5A 2543/4885SMYD2 2519/4885

“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.