SCHEMBL9068546

SCHEMBL9068546

CCOC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cc(N(CC)CCN(C)C)ncn3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.37
P4HTM Q9NXG6 1/20 0.36
KIT P10721 2/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
TBK1 Q9UHD2 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
BCR P11274 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
SCHEMBL13953972 0.89 ABL1 (0.51) ABL1
SCHEMBL13823090 0.89 ABL1 (0.38) ABL1P4HTMKITMMP2MMP13
SCHEMBL8998696 0.84 KIT (0.45) ABL1P4HTMKITMMP2MMP13
SCHEMBL8998867 0.82 ABL1 (0.40) ABL1MMP2MMP13MMP14
SCHEMBL8999560 0.79 P4HTM (0.43) ABL1P4HTMKITALDH1A1CYP1A2
SCHEMBL8998944 0.79 ABL1 (0.46) ABL1MMP2MMP13MMP14ALDH1A1
SCHEMBL13752539 0.79 P4HTM (0.41) ABL1P4HTMKITMMP2MMP13
SCHEMBL13752516 0.78 ABL1 (0.44) ABL1MMP2MMP13MMP14
SCHEMBL13823082 0.78 ABL1 (0.40) ABL1MMP2MMP13MMP14
SCHEMBL10046824 0.78 NUDT1 (0.42) ABL1MMP2MMP13MMP14

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 6 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-7618974-B2 Gyrase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-17 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 ABL1 460/4885P4HTM 3025/4885KIT 4688/4885
US-20090325935-A1 GYRASE INHIBITORS AND USES THEREOF TOP1, TOP2A, TOP2B ABL1 469/4885P4HTM 3067/4885KIT 4694/4885

“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.