SCHEMBL3175267

SCHEMBL3175267

O=C(O)c1c(-c2cccc(C(F)(F)F)c2)nn2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
KDM4E B2RXH2 1/20 0.43
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
XDH P47989 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.41
DYRK1A Q13627 2/20 0.40
DYRK2 Q92630 2/20 0.40
NPC1 O15118 2/20 0.40
SLC6A7 Q99884 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
KCNK3 O14649 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL4867147 0.87 KCNQ3 (0.52) KCNQ3KCNQ2SLC6A7PTGS2DHODH
SCHEMBL14710420 0.75 PTGS2 (0.41) KDM4EKCNQ3KCNQ2ALDH1A1KMT2A
SCHEMBL23023568 0.75 PTGS2 (0.41) KCNQ3KCNQ2ALDH1A1ATMTTR
SCHEMBL30627413 0.74 ELANE (0.42) KDM4EKCNQ3KCNQ2ALDH1A1
SCHEMBL29703840 0.72 CCNE2 (0.43) KCNQ3KCNQ2ALDH1A1ATMCDK2
SCHEMBL23013296 0.72 CCNE2 (0.43) KCNQ3KCNQ2ALDH1A1ATMCDK2
SCHEMBL29939968 0.72 HTR6 (0.43) KCNQ3KCNQ2ALDH1A1KMT2AMEN1
SCHEMBL473595 0.72 ALDH1A1 (0.59) KMOKDM4EXDHALDH1A1LMNA
SCHEMBL15210509 0.72 POLB (0.48) KCNQ3KCNQ2ALDH1A1KMT2AMEN1
SCHEMBL29703839 0.72 DHODH (0.42) ALDH1A1CDK2PTGS2DHODH

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KMO 883/4885KDM4E 3705/4885KCNQ3 1790/4885

“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.