SCHEMBL5899753

SCHEMBL5899753

COc1ccc(-c2cc(NC=O)c(Cl)nn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.54
MAPT P10636 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.43
MITF O75030 1/20 0.43
MAOB P27338 1/20 0.43
AGTR1 P30556 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
ACP1 P24666 3/20 0.39
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 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
SCHEMBL5899687 0.81 CASP1 (0.51) CASP1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL5899743 0.81 CASP1 (0.49) CASP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5899723 0.80 CASP1 (0.50) CASP1SMN1; SMN2PKMGSK3BLMNA
SCHEMBL6727952 0.79 CASP1 (0.56) CASP1MAOBGSK3BACP1
SCHEMBL5899784 0.78 MAOB (0.45) MAPTNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL5899707 0.78 CASP1 (0.54) CASP1MAOB
SCHEMBL5899797 0.77 CASP1 (0.55) CASP1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5899646 0.76 CASP1 (0.33) CASP1MAOB
SCHEMBL5899710 0.75 CASP1 (0.54) CASP1
SCHEMBL10747907 0.74 CASP1 (0.60) CASP1MAPTNPC1RAB9ASMN1; SMN2

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 117/4885MAPT 4281/4885NPC1 3007/4885

“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.