SCHEMBL585752

SCHEMBL585752

CCN1CCN(c2ccc(C=CB3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
MAPT P10636 4/20 0.47
RAD52 P43351 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GFER P55789 1/20 0.47
CHRNA7 P36544 1/20 0.45
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM1A O60341 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 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
SCHEMBL585751 1.00 GAA (0.47) GAAMAPTRAD52SMN1; SMN2KDM4E
SCHEMBL586288 0.85 MAPT (0.50) GAAMAPTKDM4EGFERKMT2A
SCHEMBL586289 0.85 MAPT (0.50) GAAMAPTKDM4EGFERKMT2A
SCHEMBL16050053 0.84 CDK9 (0.46) MAPTRAD52SMN1; SMN2NPC1RAB9A
SCHEMBL16050050 0.84 CDK9 (0.46) MAPTRAD52SMN1; SMN2NPC1RAB9A
SCHEMBL578340 0.82 MAPT (0.35) MAPTSMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL586024 0.82 MAPT (0.47) MAPTKDM4EALDH1A1
SCHEMBL586023 0.82 MAPT (0.47) MAPTKDM4EALDH1A1
SCHEMBL586242 0.81 ADRB1 (0.45) MAPTKDM4ELMNAALDH1A1SIGMAR1
SCHEMBL586243 0.81 ADRB1 (0.45) MAPTKDM4ELMNAALDH1A1SIGMAR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
EP-2556071-B1 KINASE INHIBITORS AND THEIR USE IN TREATING CANCER UNIV HEALTH NETWORK (CA) 2016-08-17 EP disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
US-9139563-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2015-09-22 US disclosed
US-8999968-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-04-07 US disclosed
EP-2417127-B1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2014-02-26 EP disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-8481525-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY OF HEALTH NETWORK (CA) 2013-07-09 US disclosed
EP-2556071-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2013-02-13 EP disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 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 (7 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-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 GAA 1351/4885MAPT 2002/4885RAD52 3638/4885
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 GAA 1351/4885MAPT 2002/4885RAD52 3638/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 GAA 1213/4885MAPT 1467/4885RAD52 3486/4885
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 GAA 1351/4885MAPT 2002/4885RAD52 3638/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 GAA 1351/4885MAPT 2002/4885RAD52 3638/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 GAA 1351/4885MAPT 2002/4885RAD52 3638/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 GAA 1351/4885MAPT 2002/4885RAD52 3638/4885

“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.