SCHEMBL5873062

SCHEMBL5873062

CCOC(=O)c1nc(-c2n[nH]c3c(C)ccc(C)c23)sc1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.47
DBF4 Q9UBU7 3/20 0.47
KDM4E B2RXH2 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 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
SCHEMBL5872932 0.92 ATAD2 (0.40) CDC7DBF4KDM4ECYP1A2CYP3A4
SCHEMBL5770580 0.89 CDC7 (0.47) CDC7DBF4KDM4ENPC1RAB9A
SCHEMBL5769485 0.85 NR4A2 (0.38) CDC7DBF4KDM4EPOLBMEN1
SCHEMBL5873217 0.85 PIM1 (0.38) CDC7DBF4KDM4ECYP1A2CYP3A4
SCHEMBL5775974 0.81 ATAD2 (0.40) CDC7DBF4KDM4EMAPTCYP1A2
SCHEMBL5873004 0.80 PIM1 (0.42) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5872941 0.78 CDC7 (0.44) CDC7DBF4KDM4EPOLBKMT2A
SCHEMBL5872921 0.76 KDM5A (0.39) PIM1
SCHEMBL5747881 0.76 KDM4E (0.45) KDM4ECYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5770570 0.75 NR4A2 (0.38) CDC7DBF4KDM4ENPC1RAB9A

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.