SCHEMBL4894431

SCHEMBL4894431

FC(F)(F)c1nccc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
DYRK1A Q13627 11/20 0.43
CLK1 P49759 11/20 0.43
DYRK1B Q9Y463 10/20 0.43
CLK4 Q9HAZ1 10/20 0.43
CLK2 P49760 8/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP2K4 P45985 1/20 0.42
DYRK2 Q92630 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4898477 0.83 KDM4E (0.67) KDM4EPOLBALDH1A1DYRK1ACLK1
SCHEMBL5138816 0.81 KDM4E (0.43) KDM4EALDH1A1DYRK1ACLK1DYRK1B
SCHEMBL4902499 0.80 TGFBR1 (0.46)
SCHEMBL3243762 0.77 MAPT (0.53) KDM4EPOLBALDH1A1DYRK1ACLK1
SCHEMBL4904075 0.77 NPC1 (0.43) POLBDYRK1ACLK1CLK4CLK2
SCHEMBL5930906 0.76 SNCA (0.46) KDM4EPOLBALDH1A1NPC1RAB9A
SCHEMBL5202460 0.76 ALDH1A1 (0.41) KDM4EPOLBALDH1A1DYRK1ACLK1
SCHEMBL3242826 0.75 TGFBR1 (0.55) KDM4EPOLBALDH1A1DYRK1ACLK1
SCHEMBL5138425 0.73 DCUN1D1 (0.40) KDM4EPOLBALDH1A1DYRK1ACLK1
SCHEMBL4898387 0.73 KDM4E (0.40) KDM4EPOLBALDH1A1DYRK1ACLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 WO claimed
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 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-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors TGFBR1, SMAD3, ALK KDM4E 426/4885POLB 2538/4885ALDH1A1 188/4885

“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.