SCHEMBL19110545

SCHEMBL19110545

CC(C)(C)c1ccc(-c2cnc3c(Br)cnn3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB1 Q9Y478 3/20 0.67
PRKAB2 O43741 2/20 0.67
PRKAG1 P54619 2/20 0.67
PRKAA2 P54646 2/20 0.67
PRKAA1 Q13131 2/20 0.67
PRKAG3 Q9UGI9 2/20 0.67
PRKAG2 Q9UGJ0 2/20 0.67
KDR P35968 13/20 0.66
FLT1 P17948 4/20 0.66
FLT4 P35916 4/20 0.66
PLK4 O00444 1/20 0.66
AURKA O14965 1/20 0.66
DYRK3 O43781 1/20 0.66
MAP4K4 O95819 1/20 0.66
NTRK1 P04629 1/20 0.66
INSR P06213 1/20 0.66
CDK1 P06493 1/20 0.66
FGFR1 P11362 1/20 0.66
CDK2 P24941 1/20 0.66
MARK3 P27448 1/20 0.66

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
SCHEMBL13126003 0.83 PRKAB1 (0.72) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17441896 0.81 PRKAB2 (0.57) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2813127 0.80 PRKAB1 (1.00) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17442402 0.80 PRKAB1 (0.63) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110525 0.79 PRKAB1 (0.67) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2810629 0.79 KDR (1.00) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17448608 0.78 PRKAB1 (0.53) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110512 0.77 PRKAB1 (0.63) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110531 0.76 PRKAB1 (0.62) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3766934 0.76 PRKAB1 (0.66) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1

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-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 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-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 PRKAB1 1843/4885PRKAB2 1983/4885PRKAG1 2129/4885

“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.