SCHEMBL710331

SCHEMBL710331

Nc1ccc(NC(=O)Nc2cccc(CO)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
RAB9A P51151 5/20 0.59
DDX3X O00571 1/20 0.57
HPSE Q9Y251 1/20 0.52
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDR P35968 3/20 0.47
KIT P10721 2/20 0.47
FLT3 P36888 1/20 0.47
HIF1A Q16665 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 4/20 0.46

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
SCHEMBL14052664 0.88 PDK1 (0.58) MAPTRAB9ADDX3XHPSESAE1
SCHEMBL546197 0.88 TRPV1 (0.60) MAPTRAB9ADDX3XHPSESAE1
SCHEMBL28156241 0.88 MAPT (0.59) MAPTRAB9ADDX3XHPSESAE1
SCHEMBL27954484 0.87 SMN1; SMN2 (0.61) MAPTRAB9AHPSEPDK1PDK2
SCHEMBL30802742 0.87 SMN1; SMN2 (0.61) MAPTRAB9AHPSEPDK1PDK2
SCHEMBL16920261 0.84 RAB9A (0.63) MAPTRAB9AHPSESAE1UBA2
SCHEMBL6814758 0.84 MAPT (0.62) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL19445348 0.84 EPHX1 (0.56) RAB9AHPSESAE1UBA2PDK1
SCHEMBL4122123 0.83 RAB9A (0.66) MAPTRAB9AHPSESAE1UBA2
SCHEMBL30802714 0.79 SAE1 (0.68) MAPTRAB9ASAE1UBA2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124759-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-28 US disclosed
EP-2150553-B1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LAB (US) 2011-10-05 EP disclosed
EP-2297151-A1 INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2150553-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES Abbott Laboratories (US) 2010-02-10 EP disclosed
WO-2009136966-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-11-12 WO disclosed
US-20090131425-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2009-05-21 US disclosed
US-20090023743-A1 INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (IL) 2009-01-22 US disclosed
WO-2008141145-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-11-20 WO disclosed
WO-2008141140-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2008-11-20 WO 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-20090131425-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 MAPT 654/4885RAB9A 2327/4885DDX3X 1508/4885
US-20090023743-A1 INHIBITORS OF PROTEIN KINASES AURKC, AURKB, PLK1 MAPT 654/4885RAB9A 2327/4885DDX3X 1508/4885

“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.