SCHEMBL3170908

SCHEMBL3170908

ON=Cc1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
BRAF P15056 14/20 0.48
DYRK1A Q13627 2/20 0.45
DYRK2 Q92630 2/20 0.45
CYP17A1 P05093 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
RAF1 P04049 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL3173747 1.00 KDM4E (0.63) KDM4EBRAFDYRK1ADYRK2CYP17A1
SCHEMBL3172246 0.86 KDM4E (0.65) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL3164198 0.80 KDM4E (0.69) KDM4EBRAFDYRK1ADYRK2CYP17A1
SCHEMBL3155574 0.80 KDM4E (0.69) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL9468075 0.80 KDM4E (0.69) KDM4EBRAFDYRK1ADYRK2CYP17A1
SCHEMBL3175469 0.79 KDM4E (0.83) KDM4EBRAFDYRK1B
SCHEMBL11464152 0.78 KDM4E (0.81) KDM4EBRAFDYRK1B
SCHEMBL11461883 0.78 KDM4E (0.67) KDM4EBRAFCYP17A1RAF1MAPK14
SCHEMBL8435070 0.77 KDM4E (1.00) KDM4EBRAFDYRK1B
SCHEMBL4700538 0.77 KDM4E (0.63) KDM4EBRAFCYP17A1RAF1MAPK14

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-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP claimed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US claimed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US claimed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP claimed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 WO claimed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US claimed
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP disclosed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US disclosed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US disclosed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP disclosed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 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-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines AZI2, CDK2, TPMT KDM4E 3705/4885BRAF 148/4885DYRK1A 396/4885

“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.