SCHEMBL9068593

SCHEMBL9068593

CCNC(=O)Nc1nc2cc(-c3ccc(CN4CCOCC4)nc3)cc(N3CCC=N3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 5/20 0.39
ABL1 P00519 11/20 0.38
MAPK1 P28482 1/20 0.38
PIK3CA P42336 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL9068603 0.93 ABL1 (0.40) ABL1
SCHEMBL8997388 0.85 ABL1 (0.41) EZH2ABL1
SCHEMBL9068612 0.83 ABL1 (0.43) ABL1
SCHEMBL8998567 0.83 ABL1 (0.43) ABL1PIK3CA
SCHEMBL13953989 0.82 AURKA (0.43) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL8999489 0.81 ABL1 (0.44) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL13953891 0.81 ABL1 (0.42) ABL1
SCHEMBL12229494 0.81 ABL1 (0.40) ABL1MAPK1AURKB
SCHEMBL9068495 0.81 ABL1 (0.58) ABL1
SCHEMBL9068458 0.80 ABL1 (0.43) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8034832-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-11 US disclosed
US-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-12-31 US disclosed
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-7495014-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 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-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B EZH2 3533/4885ABL1 460/4885MAPK1 3610/4885
US-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B EZH2 3454/4885ABL1 469/4885MAPK1 3578/4885

“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.