SCHEMBL16604752

SCHEMBL16604752

O=[N+]([O-])c1cnn(CC2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 4/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
LRRK2 Q5S007 1/20 0.38
MAPK1 P28482 2/20 0.37
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
CDK1 P06493 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
AKT1 P31749 1/20 0.37

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
SCHEMBL2519395 0.90 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL23212543 0.87 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL14800921 0.85 ALDH1A1 (0.43) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL21523624 0.85 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL17607084 0.82 ALDH1A1 (0.46) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL27028588 0.78 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL672209 0.78 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL27229343 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL1284747 0.75 KMT2A (0.51) L3MBTL1ALDH1A1MAPTPOLBKMT2A
SCHEMBL1559387 0.75 ALDH1A1 (0.39) L3MBTL1ALDH1A1MAPTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
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
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK L3MBTL1 1168/4885ALDH1A1 4726/4885MAPT 4203/4885
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 L3MBTL1 549/4885ALDH1A1 4076/4885MAPT 1832/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 L3MBTL1 549/4885ALDH1A1 4076/4885MAPT 1832/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK L3MBTL1 1168/4885ALDH1A1 4726/4885MAPT 4203/4885

“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.