Sugi Predict

Sugi Predict / Compounds / SCHEMBL8999788

SCHEMBL8999788

SCHEMBL8999788

CCOC(=O)Nc1nc2cc(-c3cnc(Cn4ccnc4C)nc3)cc(-c3ncccn3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.31
▸ PARP2 Q9UGN5 2/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TPI1 P60174 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31
▸ TUBA3E Q6PEY2 1/20 0.31
▸ TUBA1A Q71U36 1/20 0.31
▸ TUBA1C Q9BQE3 1/20 0.31
▸ TUBB6 Q9BUF5 1/20 0.31
▸ TUBB2B Q9BVA1 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31

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
SCHEMBL13787405 0.90 RAF1 (0.37) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL8999830 0.85 MAPK7 (0.33) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL8999937 0.84 PARP1 (0.33) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL13623375 0.84 NLRP3 (0.35) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL8998407 0.83 ALOX5AP (0.35) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL8999551 0.83 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8999980 0.83 OPRD1 (0.36) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL13712109 0.81 GRM2 (0.34) GSK3BDYRK1A
SCHEMBL12140484 0.81 GRM2 (0.34) GSK3BDYRK1A
SCHEMBL8998944 0.79 ABL1 (0.46) ALDH1A1LMNAMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 — — US disclosed
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-8188095-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20120010222-A1 Gyrase Inhibitors and Uses Thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — US disclosed
US-20120010222-A1 Gyrase Inhibitors and Uses Thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 — — US disclosed
US-8067606-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 — — US disclosed
US-8034832-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-11 — — US disclosed
US-20100063069-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-11 — — US disclosed
US-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-12-31 — — US disclosed
US-20090325955-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-12-31 — — US disclosed
US-7618974-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-17 — — US disclosed
US-7582641-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-01 — — US disclosed
US-7569591-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 — — US disclosed
US-7569591-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-04 — — US disclosed
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 — — US disclosed
EP-1592686-B1 GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2009-07-08 — — EP disclosed
US-7495014-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 — — 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 (6 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-20120010222-A1 Gyrase Inhibitors and Uses Thereof TOP1, TOP2A, NQO2 PARP1 293/4885PARP2 408/4885TUBB4A 1557/4885
US-20090176771-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B PARP1 67/4885PARP2 107/4885TUBB4A 349/4885
US-20090325955-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, NQO2 PARP1 293/4885PARP2 408/4885TUBB4A 1557/4885
US-20130023525-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B PARP1 67/4885PARP2 107/4885TUBB4A 349/4885
US-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B PARP1 67/4885PARP2 104/4885TUBB4A 360/4885
US-20100063069-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B PARP1 67/4885PARP2 104/4885TUBB4A 360/4885

“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.