SCHEMBL2813127

SCHEMBL2813127

Oc1ccc(-c2cnc3c(Br)cnn3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB1 Q9Y478 3/20 1.00
PRKAB2 O43741 2/20 1.00
PRKAG1 P54619 2/20 1.00
PRKAA2 P54646 2/20 1.00
PRKAA1 Q13131 2/20 1.00
PRKAG3 Q9UGI9 2/20 1.00
PRKAG2 Q9UGJ0 2/20 1.00
KDR P35968 12/20 0.67
FLT1 P17948 4/20 0.67
FLT4 P35916 4/20 0.67
PLK4 O00444 1/20 0.67
AURKA O14965 1/20 0.67
DYRK3 O43781 1/20 0.67
MAP4K4 O95819 1/20 0.67
NTRK1 P04629 1/20 0.67
INSR P06213 1/20 0.67
CDK1 P06493 1/20 0.67
FGFR1 P11362 1/20 0.67
CDK2 P24941 1/20 0.67
MARK3 P27448 1/20 0.67

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 0.84 PRKAB1 (0.72) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17441984 0.81 PRKAB1 (0.68) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110545 0.80 PRKAB1 (0.67) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110525 0.80 PRKAB1 (0.67) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2810629 0.80 KDR (1.00) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3766934 0.79 PRKAB1 (0.66) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2284618 0.79 PRKAB2 (0.65) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL19110512 0.78 PRKAB1 (0.63) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17442402 0.78 PRKAB1 (0.63) PRKAB1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17531601 0.77 PRKAB1 (0.62) 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 20 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-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
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
US-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MERCK & CO., INC. 2010-09-23 US disclosed
US-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MERCK & CO., INC. 2010-09-23 US disclosed
US-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MERCK & CO., INC. 2010-09-23 US disclosed
EP-1981509-B1 Pyrazolo[1,5-a]pyrimidine derivatives for use in treatment of Alzheimer's disease and related conditions MERCK SHARP & DOHME (GB) 2010-03-17 EP disclosed
EP-1981509-B1 Pyrazolo[1,5-a]pyrimidine derivatives for use in treatment of Alzheimer's disease and related conditions MERCK SHARP & DOHME (GB) 2010-03-17 EP disclosed
WO-2007085873-A1 TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2007-08-02 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 (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-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MAPT, MAP2, TTBK1 PRKAB1 304/4885PRKAB2 342/4885PRKAG1 249/4885
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.