SCHEMBL3279042

SCHEMBL3279042

Nc1cccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTGS1 P23219 2/20 0.45
KLKB1 P03952 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPC3 Q13507 2/20 0.42
ORAI1 Q96D31 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
DDR2 Q16832 1/20 0.40
THRB P10828 1/20 0.40
PTGS2 P35354 2/20 0.39

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
SCHEMBL3284845 0.90 MAPK14 (0.46) KDM4EL3MBTL1PTGS1KLKB1MAPT
SCHEMBL3277337 0.82 PTGS2 (0.55) KDM4EL3MBTL1PTGS1MAPTMEN1
SCHEMBL7570850 0.82 PTGS1 (0.65) KDM4EL3MBTL1PTGS1MAPTMEN1
SCHEMBL14198877 0.81 TRPC3 (0.51) KDM4EL3MBTL1PTGS1KLKB1MAPT
SCHEMBL19706390 0.80 HSD17B1 (0.44) KDM4EL3MBTL1PTGS1PTGS2
SCHEMBL3278428 0.80 PTGS1 (0.76) PTGS1MAPTTSHRTP53PTGS2
SCHEMBL1834334 0.76 KDM4E (0.51) KDM4EL3MBTL1PTGS1MAPTMEN1
SCHEMBL19692288 0.76 CA12 (0.48) KDM4EL3MBTL1PTGS1TRPC3ORAI1
SCHEMBL7319746 0.76 ORAI1 (0.68) PTGS1MAPTTRPC3ORAI1TP53
SCHEMBL3277751 0.76 PTGS1 (0.49) KDM4EPTGS1MAPTMEN1KMT2A

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
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP 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 (7 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 KDM4E 1319/4885L3MBTL1 3358/4885PTGS1 653/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 KDM4E 3430/4885L3MBTL1 4381/4885PTGS1 658/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 KDM4E 1835/4885L3MBTL1 4039/4885PTGS1 89/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT KDM4E 1633/4885L3MBTL1 3949/4885PTGS1 101/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 KDM4E 1369/4885L3MBTL1 3742/4885PTGS1 614/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR KDM4E 1821/4885L3MBTL1 3903/4885PTGS1 113/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR KDM4E 1698/4885L3MBTL1 3917/4885PTGS1 117/4885

“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.