SCHEMBL16112595

SCHEMBL16112595

CC1(C)OB(c2ccnc3cc(O)ccc23)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 2/20 0.33
RIPK2 O43353 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
RET P07949 1/20 0.32
RIPK1 Q13546 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
ENPP2 Q13822 1/20 0.32
APP P05067 1/20 0.31

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
SCHEMBL7915830 0.82 NR4A2 (0.47) TLR8MEN1KMT2ACASP1MAPT
SCHEMBL17144060 0.82 LPL (0.41) EGFR
SCHEMBL13282636 0.82 EGFR (0.35) MEN1KMT2AALDH1A1CASP1MAPT
SCHEMBL30543183 0.82 NR4A2 (0.47) TLR8MEN1KMT2ACASP1MAPT
SCHEMBL16112441 0.82 MAOA (0.36) EGFRESR2HSD17B10
SCHEMBL27096411 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL29478882 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1CASP1CASP7
SCHEMBL23911019 0.80 HTR1A (0.48) TLR8EGFRRIPK2KDM4ELMNA
SCHEMBL30682050 0.80 HTR1A (0.48) TLR8EGFRRIPK2KDM4ELMNA
SCHEMBL7900977 0.79 GAK (0.41) EGFRRIPK2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-18 US disclosed
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-18 US disclosed
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-18 US disclosed
EP-2970311-A2 BMP INHIBITORS AND METHODS OF USE THEREOF The Brigham and Women's Hospital, Inc. (US) 2016-01-20 EP disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 WO disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 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 (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-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF BMP1, BMPR2, BMP2 TLR8 1965/4885MEN1 514/4885KMT2A 3607/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 TLR8 1965/4885MEN1 514/4885KMT2A 3607/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 TLR8 1965/4885MEN1 514/4885KMT2A 3607/4885

“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.