SCHEMBL19611343

SCHEMBL19611343

CC(C)(C)C1CN(c2ccc(-c3cnc4c(Br)cnn4c3)cc2C#N)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.42
BMPR1A P36894 2/20 0.42
ACVR1B P36896 2/20 0.42
ACVRL1 P37023 2/20 0.42
ACVR1 Q04771 2/20 0.42
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
RET P07949 16/20 0.39
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
CDK1 P06493 1/20 0.38

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
SCHEMBL19611358 0.88 PRKAB1 (0.41) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL19611364 0.84 PRKAB1 (0.47) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL16112583 0.80 RET (0.57) RET
SCHEMBL18588086 0.77 DRD4 (0.42)
SCHEMBL17531633 0.76 BMPR1A (0.52) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL16112722 0.73 RET (0.44) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL22631009 0.73 RET (0.71) RET
SCHEMBL22630953 0.71 RET (0.67) RET
SCHEMBL22631088 0.70 RET (0.68) RET
SCHEMBL25269890 0.69 RET (0.63) RET

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 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 (1 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-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 BMPR1B 4/4885BMPR1A 5/4885ACVR1B 16/4885

“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.