SCHEMBL3278428

SCHEMBL3278428

Nc1cccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.76
PTGS2 P35354 10/20 0.61
PDPK1 O15530 2/20 0.58
TSHR P16473 1/20 0.55
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR3C2 P08235 1/20 0.49

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
SCHEMBL6451398 0.87 PTGS1 (1.00) PTGS1PTGS2PDPK1TP53MAPT
SCHEMBL3277875 0.86 PTGS1 (0.80) PTGS1PTGS2PDPK1
SCHEMBL2698251 0.83 PTGS1 (0.76) PTGS1PTGS2PDPK1
SCHEMBL14198874 0.83 PTGS1 (0.76) PTGS1PTGS2PDPK1TSHRMAPT
Sulfamide SCHEMBL7139961 0.82 PTGS1 (0.83) PTGS1PTGS2PDPK1TSHR
SCHEMBL21879554 0.80 PTGS1 (0.70) PTGS1PTGS2PDPK1TP53MAPT
SCHEMBL3279042 0.80 KDM4E (0.54) PTGS1PTGS2TSHRTP53MAPT
SCHEMBL22288994 0.80 PTGS1 (0.78) PTGS1PTGS2PDPK1MAPT
SCHEMBL27602808 0.80 PTGS1 (0.74) PTGS1PTGS2PDPK1
SCHEMBL3277724 0.79 PTGS1 (0.68) PTGS1PTGS2PDPK1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN disclosed
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
CN-100379410-C Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-04-09 CN disclosed
CN-101103977-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-01-16 CN 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
CN-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658850-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658854-A Immune related protein kinase inhibitors INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN 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 PTGS1 653/4885PTGS2 1119/4885PDPK1 184/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 PTGS1 658/4885PTGS2 1369/4885PDPK1 4080/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 PTGS1 89/4885PTGS2 219/4885PDPK1 4171/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT PTGS1 101/4885PTGS2 286/4885PDPK1 4114/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 PTGS1 614/4885PTGS2 1640/4885PDPK1 816/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR PTGS1 113/4885PTGS2 246/4885PDPK1 4198/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR PTGS1 117/4885PTGS2 271/4885PDPK1 4194/4885

“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.