SCHEMBL2809221

SCHEMBL2809221

Brc1cnn2cc(-c3ccc(OCCN4CCCCC4)cc3)cnc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 9/20 0.80
PRKAG1 P54619 9/20 0.80
PRKAA2 P54646 9/20 0.80
PRKAA1 Q13131 9/20 0.80
PRKAG3 Q9UGI9 9/20 0.80
PRKAG2 Q9UGJ0 9/20 0.80
PRKAB1 Q9Y478 9/20 0.80
FLT1 P17948 10/20 0.70
KDR P35968 10/20 0.70
ACVR1 Q04771 5/20 0.70
BMP4 P12644 5/20 0.70
LCK P06239 5/20 0.70
SRC P12931 5/20 0.70
EPHA2 P29317 5/20 0.70
RPS6KA1 Q15418 5/20 0.70
MKNK1 Q9BUB5 5/20 0.70
BMPR1B O00238 2/20 0.70
BMPR1A P36894 2/20 0.70
ACVR1B P36896 2/20 0.70
ACVRL1 P37023 2/20 0.70

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
SCHEMBL17442460 0.99 PRKAB2 (0.82) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16111438 0.88 PRKAB2 (0.66) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17442468 0.88 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17442165 0.84 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11953875 0.84 KDR (0.83) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16112356 0.83 ACVR1 (0.66) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Dorsomorphin SCHEMBL463155 0.83 KDR (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13126025 0.83 KDR (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13126023 0.83 FLT1 (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13126029 0.83 FLT1 (0.81) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 11 patents. 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
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
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
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
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO 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

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-20100240647-A1 Treatment of Alzheimer's Disease and Related Conditions MAPT, MAP2, TTBK1 PRKAB2 342/4885PRKAG1 249/4885PRKAA2 742/4885
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF BMP1, BMPR2, BMP2 PRKAB2 3101/4885PRKAG1 3344/4885PRKAA2 4365/4885
US-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 PRKAB2 1983/4885PRKAG1 2129/4885PRKAA2 3569/4885

“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.