SCHEMBL3754835

SCHEMBL3754835

Brc1cnc2c(Br)cnn2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.54
PRKAG1 P54619 2/20 0.54
PRKAA2 P54646 2/20 0.54
PRKAA1 Q13131 2/20 0.54
PRKAG3 Q9UGI9 2/20 0.54
PRKAG2 Q9UGJ0 2/20 0.54
PRKAB1 Q9Y478 2/20 0.54
AXL P30530 1/20 0.52
KDR P35968 4/20 0.50
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
PLK4 O00444 1/20 0.50
AURKA O14965 1/20 0.50
DYRK3 O43781 1/20 0.50
MAP4K4 O95819 1/20 0.50
NTRK1 P04629 1/20 0.50
INSR P06213 1/20 0.50
CDK1 P06493 1/20 0.50
FGFR1 P11362 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL13960990 0.79 KDR (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3772458 0.79 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28566342 0.79 MAOB (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31487914 0.79 MAPT (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2281774 0.79 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2284618 0.79 PRKAB2 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12517742 0.76 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13822288 0.75 KDR (0.68) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL18397071 0.75 MAPT (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1991834 0.75 CDK2 (0.53) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523552-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
EP-2523552-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed
US-8946237-B2 Pyrazolo[1,5-A]pyrimidines as mark inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US 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-20130210838-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2013-08-15 US 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-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 (2 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-20130210838-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MARK3, MARK4, MARK1 PRKAB2 321/4885PRKAG1 94/4885PRKAA2 459/4885
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 PRKAB2 567/4885PRKAG1 441/4885PRKAA2 708/4885

“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.