SCHEMBL5899679

SCHEMBL5899679

O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2cc(Cl)ccn2)nnc1Cl

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 3/20 0.72
▸ TSHR P16473 1/20 0.54
▸ EPHX2 P34913 8/20 0.48
▸ LMNA P02545 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NLRP1 Q9C000 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ P2RX7 Q99572 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP2J2 P51589 1/20 0.41
▸ AKT3 Q9Y243 1/20 0.41

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
SCHEMBL5899792 0.84 CASP1 (1.00) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL30277756 0.84 CASP1 (1.00) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL30277741 0.81 CASP1 (0.75) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL7219067 0.78 CASP1 (0.64) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL4856060 0.71 TSHR (0.60) CASP1TSHREPHX2LMNAHPGD
SCHEMBL4189403 0.71 TSHR (0.61) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL5213545 0.71 TSHR (0.72) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL23675382 0.71 ERCC1 (0.59) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL6357794 0.71 TSHR (0.64) CASP1TSHREPHX2LMNAMAPK1
SCHEMBL30100395 0.71 ERCC1 (0.59) CASP1TSHREPHX2LMNAMAPK1

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-20040110725-A1 Pyridazines as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-06-10 — — 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 117/4885TSHR 1750/4885EPHX2 676/4885

“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.

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