SCHEMBL3284845

SCHEMBL3284845

CC(C)(C)c1cc(C(F)(F)F)nn1-c1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
DDR2 Q16832 3/20 0.46
MAPK11 Q15759 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SRC P12931 2/20 0.43
PTGS1 P23219 1/20 0.42
MAPK9 P45984 1/20 0.42
ABL1 P00519 1/20 0.42
ABL2 P42684 1/20 0.42
MAPK8 P45983 1/20 0.42
KLKB1 P03952 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGS2 P35354 1/20 0.40
SCN9A Q15858 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 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
SCHEMBL3279042 0.90 KDM4E (0.54) MAPK14DDR2MAPK11MAPK13MAPK12
SCHEMBL3283975 0.84 PTGS2 (0.54) MAPK14MAPK11MAPK13MAPK12KDM4E
SCHEMBL12859423 0.83 PTGS1 (0.59) KDM4EL3MBTL1PTGS1ALDH1A1PTGS2
SCHEMBL12859447 0.83 TRPV1 (0.49)
SCHEMBL12859491 0.77 CNR1 (0.51) MAPK14MAPK11MAPK13MAPK12KDM4E
SCHEMBL3278428 0.76 PTGS1 (0.76) PTGS1PTGS2MAPTPDPK1TSHR
SCHEMBL3284843 0.76 PTGS1 (0.41) KDM4EL3MBTL1PTGS1ALDH1A1PTGS2
SCHEMBL14198873 0.76 TRPC3 (0.59) MAPK14PTGS1PTGS2ALOX15TRPC3
SCHEMBL12859442 0.76 PTGS2 (0.52) PTGS1PTGS2TRPC3PDPK1
SCHEMBL14198877 0.75 TRPC3 (0.51) MAPK14MAPK11MAPK13MAPK12KDM4E

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-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES 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 MAPK14 85/4885DDR2 3747/4885MAPK11 214/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 MAPK14 1163/4885DDR2 4718/4885MAPK11 1874/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 MAPK14 2290/4885DDR2 4823/4885MAPK11 2141/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT MAPK14 2111/4885DDR2 4837/4885MAPK11 2116/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 MAPK14 523/4885DDR2 4680/4885MAPK11 787/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR MAPK14 2398/4885DDR2 4813/4885MAPK11 2187/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR MAPK14 2265/4885DDR2 4825/4885MAPK11 2054/4885

“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.