SCHEMBL5873018

SCHEMBL5873018

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)N4CCC(N5CCOCC5)C4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM5A P29375 1/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
SPR P35270 1/20 0.36
VNN1 O95497 2/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
JAK1 P23458 1/20 0.35
PIM1 P11309 5/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL5769465 0.95 CYP3A4 (0.38) GRM4CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL5872978 0.94 CYP2C9 (0.42) CYP2C9KDM5APIM1HCRTR1HCRTR2
SCHEMBL5873063 0.90 PIM1 (0.40) KDM5APIM1
SCHEMBL5775804 0.87 PIM1 (0.38) CYP2C9KDM5ADYRK1APIM1HCRTR1
SCHEMBL5873160 0.87 CYP2C9 (0.42) CYP2C9CYP3A4CYP2D6CYP2C19HTT
SCHEMBL5873037 0.86 CYP3A4 (0.38) GRM4CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL5872868 0.86 CYP2C9 (0.40) CYP2C9KDM5AHTTPIM1HCRTR1
SCHEMBL5873198 0.85 KDM5A (0.40) KDM5ADYRK1APIM1HCRTR1HCRTR2
SCHEMBL5873046 0.85 CYP2C9 (0.43) CYP2C9KDM5APIM1HCRTR1HCRTR2
SCHEMBL5873087 0.84 KDM5A (0.39) KDM5ADYRK1AJAK1PIM1HCRTR1

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 GRM4 4450/4885CYP2C9 695/4885CYP3A4 871/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B GRM4 4450/4885CYP2C9 695/4885CYP3A4 871/4885

“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.