SCHEMBL16112581

SCHEMBL16112581

CC1CN(C(=O)OC(C)(C)C)CC(C)N1c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cn1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 15/20 0.68
ACVR1 Q04771 15/20 0.68
ACVRL1 P37023 14/20 0.68
BMPR1B O00238 12/20 0.68
BMPR1A P36894 11/20 0.68
BMP4 P12644 5/20 0.53
KDR P35968 5/20 0.53
TGFBR1 P36897 5/20 0.53
PRKAB1 Q9Y478 5/20 0.53
TGFBR2 P37173 4/20 0.53
BMPR2 Q13873 3/20 0.49
RIPK2 O43353 1/20 0.47
ACVR2A P27037 1/20 0.47
ACVR2B Q13705 1/20 0.47

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
SCHEMBL16112582 1.00 ACVR1B (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17509648 0.95 ACVRL1 (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL16134893 0.95 ACVRL1 (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17509657 0.92 ACVR1 (0.67) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL19611370 0.92 ACVR1 (0.67) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL16134935 0.92 ACVR1 (0.67) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL16112446 0.89 ACVR1B (0.74) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL16111892 0.87 ACVR1B (0.66) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17509652 0.86 ACVR1 (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A
SCHEMBL17509651 0.86 ACVR1 (0.68) ACVR1BACVR1ACVRL1BMPR1BBMPR1A

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 6 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-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
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

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 ACVR1B 16/4885ACVR1 13/4885ACVRL1 14/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 ACVR1B 16/4885ACVR1 13/4885ACVRL1 14/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 ACVR1B 16/4885ACVR1 13/4885ACVRL1 14/4885

“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.