SCHEMBL16111925

SCHEMBL16111925

Cc1ccc2c(-c3cnn4cc(-c5ccc(N6[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]6C)cc5)cnc34)cccc2n1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 20/20 0.69
ACVRL1 P37023 16/20 0.69
BMPR1A P36894 14/20 0.69
ACVR1B P36896 13/20 0.69
BMPR1B O00238 10/20 0.69

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
SCHEMBL16111923 1.00 ACVR1 (0.69) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL16111899 0.92 ACVR1 (0.70) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL16111898 0.92 ACVR1 (0.70) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL16112430 0.91 ACVR1 (0.69) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL16112432 0.91 ACVR1 (0.69) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL17509652 0.89 ACVR1 (0.68) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL17509651 0.89 ACVR1 (0.68) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL17509657 0.87 ACVR1 (0.67) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL17442102 0.87 ACVR1 (0.53) ACVR1ACVRL1BMPR1AACVR1BBMPR1B
SCHEMBL19611370 0.87 ACVR1 (0.67) ACVR1ACVRL1BMPR1AACVR1BBMPR1B

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 10 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-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-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 ACVR1 13/4885ACVRL1 14/4885BMPR1A 5/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 ACVR1 13/4885ACVRL1 14/4885BMPR1A 5/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 ACVR1 13/4885ACVRL1 14/4885BMPR1A 5/4885

“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.