SCHEMBL16112415

SCHEMBL16112415

Cc1cc(-c2cnn3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc23)c2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 18/20 0.69
ACVR1B P36896 9/20 0.69
BMPR1B O00238 7/20 0.69
BMPR1A P36894 7/20 0.69
ACVRL1 P37023 4/20 0.69
TGFBR1 P36897 4/20 0.54
KDR P35968 2/20 0.54
TGFBR2 P37173 2/20 0.54
BMPR2 Q13873 2/20 0.54
PRKAB1 Q9Y478 2/20 0.54

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
SCHEMBL16112868 0.92 ACVR1 (0.69) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL16112523 0.92 ACVR1 (0.68) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL16111797 0.88 ACVR1 (0.68) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL16112430 0.87 ACVR1 (0.69) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL16112432 0.87 ACVR1 (0.69) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL16026088 0.86 ACVRL1 (0.66) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL17442042 0.85 ACVR1 (0.55) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL26939150 0.84 ACVR1 (0.81) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL17442002 0.83 ACVR1 (0.59) ACVR1ACVR1BBMPR1BBMPR1AACVRL1
SCHEMBL17531600 0.83 ACVR1 (0.83) ACVR1ACVR1BBMPR1BBMPR1AACVRL1

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 13/4885ACVR1B 16/4885BMPR1B 4/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 ACVR1 13/4885ACVR1B 16/4885BMPR1B 4/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 ACVR1 13/4885ACVR1B 16/4885BMPR1B 4/4885

“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.