SCHEMBL5872941

SCHEMBL5872941

CCOC(=O)c1nc(-c2n[nH]c3c(C)cccc23)sc1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 15/20 0.44
DBF4 Q9UBU7 15/20 0.44
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.40
MAPK14 Q16539 1/20 0.39
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5770580 0.90 CDC7 (0.47) CDC7DBF4KDM4EPOLBKMT2A
SCHEMBL5774853 0.89 TRPM8 (0.43) KDM4EPOLBMAPK14MAPK1KMT2A
SCHEMBL5773483 0.82 KDM4E (0.51) KDM4EMAPK1KMT2AL3MBTL1
SCHEMBL5873216 0.80 KDM4E (0.41) KDM4EMAPK1KMT2AL3MBTL1
SCHEMBL5775974 0.80 ATAD2 (0.40) CDC7DBF4KDM4EL3MBTL1
SCHEMBL5872933 0.79 KDM4E (0.41) KDM4EMAPK1L3MBTL1
SCHEMBL5872907 0.79 RPA1 (0.44) KDM4EMAPK1
SCHEMBL5873062 0.78 CDC7 (0.47) CDC7DBF4KDM4EPOLBKMT2A
SCHEMBL5768711 0.77 L3MBTL1 (0.42) KDM4EKMT2AL3MBTL1
SCHEMBL5747881 0.76 KDM4E (0.45) KDM4E

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 CDC7 120/4885DBF4 1446/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CDC7 120/4885DBF4 1446/4885KDM4E 2869/4885

“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.