SCHEMBL19706533

SCHEMBL19706533

CC(=O)Nc1cncc(OC[C@@H](O)CO)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.42
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
RAB9A P51151 1/20 0.36
BRAF P15056 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM5 P41594 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL19706537 1.00 MAPK8 (0.42) MAPK8KDM4EHSP90AA1HSP90AB1RAB9A
SCHEMBL19699574 0.87 MAPT (0.37) MAPK8TSHRCYP2C19GRM5MAPK1
SCHEMBL19699576 0.87 MAPT (0.37) MAPK8TSHRCYP2C19GRM5MAPK1
SCHEMBL19706514 0.81 MAPK8 (0.66) MAPK8KDM4EHSP90AA1HSP90AB1RAB9A
SCHEMBL19706515 0.81 MAPK8 (0.66) MAPK8KDM4EHSP90AA1HSP90AB1RAB9A
SCHEMBL19706500 0.81 PTK2 (0.39) MAPK8KDM4EHSP90AA1HSP90AB1RAB9A
SCHEMBL19706499 0.81 PTK2 (0.39) MAPK8KDM4EHSP90AA1HSP90AB1RAB9A
SCHEMBL19706526 0.80 MAPK8 (0.46) MAPK8KDM4EHSP90AA1HSP90AB1BRAF
SCHEMBL19706551 0.80 MAPK8 (0.63) MAPK8KDM4EHSP90AA1HSP90AB1RAB9A
SCHEMBL19706540 0.79 MAPK8 (0.44) MAPK8KDM4EHSP90AA1HSP90AB1BRAF

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1686/4885KDM4E 1355/4885HSP90AA1 442/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1815/4885KDM4E 1291/4885HSP90AA1 479/4885

“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.