SCHEMBL2227680

SCHEMBL2227680

FC(F)Oc1cnc2c(Br)cnn2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.48
AURKA O14965 1/20 0.48
DYRK3 O43781 1/20 0.48
MAP4K4 O95819 1/20 0.48
NTRK1 P04629 1/20 0.48
INSR P06213 1/20 0.48
CDK1 P06493 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48
CLK2 P49760 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
IRAK1 P51617 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK1G2 P78368 1/20 0.48

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
SCHEMBL13822288 0.78 KDR (0.68) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL31465342 0.75 PLK4 (0.46) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL2284618 0.72 PRKAB2 (0.65) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL3754835 0.71 PRKAB2 (0.54) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL31487543 0.70 PLK4 (0.47) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL12517742 0.69 PRKAB2 (0.49) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL2281774 0.68 PRKAB2 (0.51) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL31509364 0.67 PLK4 (0.47) PLK4AURKADYRK3MAP4K4NTRK1
SCHEMBL12517722 0.67 MARK3 (0.42) NTRK1CDK2MARK3KDRFLT3
SCHEMBL2810629 0.65 KDR (1.00) PLK4AURKADYRK3MAP4K4NTRK1

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
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
US-8946237-B2 Pyrazolo[1,5-A]pyrimidines as mark inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946237-B2 Pyrazolo[1,5-A]pyrimidines as mark inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-20130210838-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210838-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210838-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
EP-2523552-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-11-21 EP disclosed
WO-2011087999-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-21 WO disclosed
WO-2011087999-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-21 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 (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-20130210838-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS MARK INHIBITORS MARK3, MARK4, MARK1 PLK4 242/4885AURKA 18/4885DYRK3 575/4885

“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.