SCHEMBL3766934

SCHEMBL3766934

Fc1ccc(-c2cnc3c(Br)cnn3c2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB1 Q9Y478 3/20 0.66
PRKAB2 O43741 2/20 0.66
PRKAG1 P54619 2/20 0.66
PRKAA2 P54646 2/20 0.66
PRKAA1 Q13131 2/20 0.66
PRKAG3 Q9UGI9 2/20 0.66
PRKAG2 Q9UGJ0 2/20 0.66
KDR P35968 14/20 0.61
FLT1 P17948 4/20 0.61
FLT4 P35916 4/20 0.61
GSK3A P49840 2/20 0.61
DYRK1A Q13627 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
PLK4 O00444 1/20 0.61
AURKA O14965 1/20 0.61
DYRK3 O43781 1/20 0.61
MAP4K4 O95819 1/20 0.61
NTRK1 P04629 1/20 0.61
INSR P06213 1/20 0.61
CDK1 P06493 1/20 0.61

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
SCHEMBL12997604 0.81 PRKAB2 (0.57) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2813127 0.79 PRKAB1 (1.00) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3763557 0.77 PRKAB2 (0.60) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2810629 0.76 KDR (1.00) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110525 0.76 PRKAB1 (0.67) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110545 0.76 PRKAB1 (0.67) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3765337 0.74 PRKAG1 (0.60) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110512 0.74 PRKAB1 (0.63) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17441984 0.74 PRKAB1 (0.68) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17442402 0.74 PRKAB1 (0.63) 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 21 patents — showing the first 20. 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-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-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-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
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 US disclosed
WO-2009014620-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES MERCK & CO., INC. (US) 2009-01-29 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 (4 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-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 PRKAB1 450/4885PRKAB2 567/4885PRKAG1 441/4885
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF BMP1, BMPR2, BMP2 PRKAB1 3076/4885PRKAB2 3101/4885PRKAG1 3344/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 PRKAB1 3076/4885PRKAB2 3101/4885PRKAG1 3344/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 PRKAB1 3076/4885PRKAB2 3101/4885PRKAG1 3344/4885

“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.