SCHEMBL15875243

SCHEMBL15875243

Nc1cnn(CCOCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
APP P05067 1/20 0.34
KIT P10721 1/20 0.34
HTR1A P08908 1/20 0.33
MAPK14 Q16539 2/20 0.30

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
SCHEMBL21107360 0.83 MAPT (0.41) JAK3MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL1703714 0.81 MEN1 (0.41) JAK3MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL341738 0.81
SCHEMBL24841255 0.81 JAK3 (0.47) JAK3L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL3764161 0.80 MAPT (0.47) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL27032359 0.79 HPGD (0.38) JAK3MAPTLMNAALDH1A1PKM
SCHEMBL15986772 0.78 MAPT (0.42) JAK3MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL31319648 0.77 MAPT (0.40) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL23776848 0.77 MEN1 (0.38) JAK3MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL1663037 0.77 MEN1 (0.45) MAPTLMNAL3MBTL1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-02-09 US disclosed
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-02-09 US disclosed
US-9518065-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-12-13 US disclosed
US-9518065-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-12-13 US disclosed
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
US-20150329498-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-11-19 US disclosed
EP-2943202-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2015-11-18 EP disclosed
WO-2015164374-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-10-29 WO disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 US disclosed
WO-2015048281-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-04-02 WO disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 US disclosed
WO-2014194242-A2 FLT3 INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-12-04 WO disclosed
WO-2014110114-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-07-17 WO disclosed
WO-2014110114-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-07-17 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 (3 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-20150329498-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 JAK3 133/4885MAPT 3305/4885LMNA 1208/4885
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 JAK3 85/4885MAPT 1832/4885LMNA 1120/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 JAK3 85/4885MAPT 1832/4885LMNA 1120/4885

“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.