SCHEMBL3571069

SCHEMBL3571069

CCOC(=O)Nc1nc2ccccc2n1-c1nc2cc(-n3cnc(C(=O)NC4CC4)c3)cc(-c3ncccn3)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLLT3 P42568 1/20 0.36
MLLT1 Q03111 1/20 0.36
RIPK2 O43353 3/20 0.35
CD38 P28907 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
USP2 O75604 1/20 0.34
PDE4B Q07343 2/20 0.33
DHODH Q02127 1/20 0.33
USP30 Q70CQ3 2/20 0.33
PDE4D Q08499 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL3571074 0.87 KDM4E (0.37) MLLT3MLLT1RIPK2CD38ALDH1A1
SCHEMBL1358286 0.85 MLLT3 (0.40) MLLT3MLLT1RIPK2CD38ALDH1A1
SCHEMBL8997908 0.80 MLLT3 (0.39) MLLT3MLLT1RIPK2CD38ALDH1A1
SCHEMBL8998112 0.76 MLLT3 (0.40) MLLT3MLLT1RIPK2ALDH1A1NPC1
SCHEMBL13953887 0.73 NOTUM (0.34) ALDH1A1NPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL8998142 0.73 NOTUM (0.35) SMN1; SMN2MAPT
SCHEMBL8998114 0.73 CD38 (0.37) MLLT3MLLT1RIPK2CD38ALDH1A1
SCHEMBL8998146 0.73 PDE2A (0.39) ALDH1A1MAPT
SCHEMBL8998536 0.73 L3MBTL1 (0.42) ALDH1A1CYP3A4SMN1; SMN2USP2
SCHEMBL8998426 0.72 SLC40A1 (0.36)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193352-B2 2-(3-Ethyl-ureido)-6-pyridin-3-yl-3H-benzoimidazole-4-carboxylic acid methyl ester; for treating bacterial infections in mammals; useful in treating or lessening severity of urinary tract infections, pneumonia, prostatitis, skin and soft tissue infections, intra-abdominal infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20100063069-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-11 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 (1 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-20100063069-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B MLLT3 2533/4885MLLT1 1608/4885RIPK2 3623/4885

“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.