SCHEMBL5899707

SCHEMBL5899707

O=CNc1cc(-c2ccc(C(F)(F)F)cc2)nnc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.54
MAOB P27338 1/20 0.43
KIF11 P52732 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
ALOX5 P09917 1/20 0.35
HDAC1 Q13547 1/20 0.35
TOP1 P11387 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
KDM1A O60341 1/20 0.34
SNCA P37840 1/20 0.34
GSTO1 P78417 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL5899723 0.82 CASP1 (0.50) CASP1
SCHEMBL5899687 0.81 CASP1 (0.51) CASP1MAOB
SCHEMBL5899743 0.81 CASP1 (0.49) CASP1MAOB
SCHEMBL6727952 0.79 CASP1 (0.56) CASP1MAOBKDM1A
SCHEMBL5899753 0.78 CASP1 (0.54) CASP1MAOB
SCHEMBL5899710 0.78 CASP1 (0.54) CASP1
SCHEMBL5899797 0.77 CASP1 (0.55) CASP1MAOBKDM1A
SCHEMBL5899646 0.76 CASP1 (0.33) CASP1MAOB
SCHEMBL5899784 0.75 MAOB (0.45) MAOBALOX5GSTO1
SCHEMBL30041884 0.74 CASP1 (0.56) CASP1MAOBKIF11TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-06-10 US claimed
US-6624166-B1 Pharmaceutical compositions containing the compounds; and a method for inhibiting interleukin-1 beta protease activity in a mammal utilizing the compounds and compositions for enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-23 US claimed
US-6121266-A TREATMENT/PROPHYLAXIS OF INFLAMMATORY DISEASES, IMMUNE DISEASES, CANCER VERTEX PHARMACEUTICALS, INC. (US) 2000-09-19 US claimed
EP-0628550-B1 Pyridazines as interleukin-1beta converting enzyme inhibitors SANOFI SA (FR) 1998-02-25 EP claimed
EP-0628550-A2 Pyridazines as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-14 EP claimed
US-6995261-B2 4-pyridazinecarboxamides and esters as interleukin-1β converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-02-07 US disclosed
US-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-06-10 US disclosed
US-6624166-B1 Pharmaceutical compositions containing the compounds; and a method for inhibiting interleukin-1 beta protease activity in a mammal utilizing the compounds and compositions for enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-23 US disclosed
US-6121266-A TREATMENT/PROPHYLAXIS OF INFLAMMATORY DISEASES, IMMUNE DISEASES, CANCER VERTEX PHARMACEUTICALS, INC. (US) 2000-09-19 US disclosed
EP-0628550-B1 Pyridazines as interleukin-1beta converting enzyme inhibitors SANOFI SA (FR) 1998-02-25 EP disclosed
EP-0628550-A2 Pyridazines as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-14 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 (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-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors IL6ST, IL1RN, IL1R1 CASP1 117/4885MAOB 1518/4885KIF11 4848/4885

“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.