SCHEMBL16112441

SCHEMBL16112441

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
DYRK1A Q13627 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
RECQL P46063 1/20 0.34
LPL P06858 5/20 0.34
LIPG Q9Y5X9 5/20 0.34
F11 P03951 1/20 0.33
PLAU P00749 1/20 0.32
ACVR1 Q04771 2/20 0.32
ESR2 Q92731 1/20 0.32
CYP19A1 P11511 1/20 0.32
EGFR P00533 2/20 0.31
UCHL1 P09936 1/20 0.31
BAD Q92934 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVRL1 P37023 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
SCHEMBL16112595 0.82 TLR8 (0.42) HSD17B10ESR2EGFR
SCHEMBL20973267 0.79 GRM2 (0.39)
SCHEMBL7915830 0.79 NR4A2 (0.47) HSD17B10EGFR
SCHEMBL30543183 0.79 NR4A2 (0.47) HSD17B10EGFR
SCHEMBL13282636 0.79 EGFR (0.35) MAOAHSD17B10EGFR
SCHEMBL17144060 0.79 LPL (0.41) LPLLIPGACVR1EGFR
SCHEMBL23911019 0.77 HTR1A (0.48) EGFR
SCHEMBL30682050 0.77 HTR1A (0.48) EGFR
SCHEMBL7900977 0.76 GAK (0.41) DYRK1ASLC22A12ACVR1ESR2EGFR
SCHEMBL17144782 0.76 ADRB2 (0.42) DYRK1A

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 MAOA 3521/4885DYRK1A 3943/4885HSD17B10 1336/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 MAOA 3521/4885DYRK1A 3943/4885HSD17B10 1336/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 MAOA 3521/4885DYRK1A 3943/4885HSD17B10 1336/4885

“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.