SCHEMBL17509653

SCHEMBL17509653

CC1CN(C(=O)OC(C)(C)C)CC(C)N1c1ccc(-c2cnc3ccnn3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.44
USP30 Q70CQ3 5/20 0.42
GPR119 Q8TDV5 9/20 0.42
ROCK2 O75116 1/20 0.39

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
SCHEMBL16134921 1.00 RET (0.44) RETUSP30GPR119ROCK2
SCHEMBL17509654 0.89 RET (0.49) RETUSP30GPR119
SCHEMBL19611362 0.89 RET (0.49) RETUSP30GPR119
SCHEMBL16134962 0.89 RET (0.49) RETUSP30GPR119
SCHEMBL12845118 0.83 RET (0.57) RETGPR119
SCHEMBL19611367 0.83 PLK4 (0.47) RETUSP30GPR119ROCK2
SCHEMBL16112341 0.83 PLK4 (0.47) RETUSP30GPR119ROCK2
SCHEMBL19611368 0.83 PLK4 (0.47) RETUSP30GPR119ROCK2
SCHEMBL16112343 0.83 PLK4 (0.47) RETUSP30GPR119ROCK2
SCHEMBL18995239 0.80 RET (0.40) RETUSP30GPR119ROCK2

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 4 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

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 RET 997/4885USP30 2450/4885GPR119 629/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 RET 997/4885USP30 2450/4885GPR119 629/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 RET 997/4885USP30 2450/4885GPR119 629/4885

“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.